SCHEMBL825684

SCHEMBL825684

c1ccc(Nn2cccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CTSD P07339 1/20 0.36
CYP19A1 P11511 1/20 0.35
SLC6A2 P23975 3/20 0.35
TSHR P16473 3/20 0.35
MAPK1 P28482 2/20 0.35
PTGS2 P35354 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
PTGS1 P23219 1/20 0.35
HTR2B P41595 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10569077 0.84 SLC6A2 (0.46) CTSDSLC6A2
SCHEMBL28202357 0.81 ALDH1A1 (0.40) CYP1A2ALDH1A1CYP19A1MAPK1GAA
SCHEMBL28065822 0.79 MAP4K4 (0.42) CYP1A2ALDH1A1GAANPC1LMNA
SCHEMBL1009812 0.78 ALDH1A1 (0.44) CYP1A2TDP1ALDH1A1HSD17B10CTSD
SCHEMBL23794878 0.77 KDM1A (0.38) CYP1A2ALDH1A1TSHRHTR2BIDO1
Maleic Acid SCHEMBL10568944 0.75 SLC6A2 (0.57) ALDH1A1SLC6A2
Fumaric Acid SCHEMBL10568948 0.75 SLC6A2 (0.57) ALDH1A1SLC6A2
SCHEMBL2359099 0.74 CYP19A1 (0.41) CYP1A2TDP1ALDH1A1HSD17B10CTSD
SCHEMBL4593306 0.73 LMNA (0.52) TDP1ALDH1A1L3MBTL1IDO1GAA
SCHEMBL1008764 0.72 MEN1 (0.45) CYP1A2ALDH1A1HSD17B10GAANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 192 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP claimed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO claimed
EP-0618904-B1 NOVEL N-PHENYL AMINO PYRAZOLE DERIVATIVES AND MEANS AND PROCESS FOR COLOURING HAIR WELLA AG (DE) 1999-04-14 EP claimed
EP-0745067-A1 N-PYRAZOLYL ANILINES AND N-PYRAZOLYL AMINOPYRIDINES AS PESTICIDES BAYER AG (DE) 1996-12-04 EP claimed
WO-1995022530-A1 N-PYRAZOLYL ANILINES AND N-PYRAZOLYL AMINOPYRIDINES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-08-24 WO claimed
US-5430159-A N-phenylaminopyrazole derivatives as well as composition and process for the dyeing of hair WELLA AKTIENGESELLSCHAFT (DE) 1995-07-04 US claimed
US-4420308-A Process for the production of reserve effects on polyester textiles and polyester/cellulose mixed fibre textiles: discharge printing with disperse azo dye with alkyl or alkoxy carbonyl, cyand and hydroxy phenyl group CASSELLA AKTIENGESELLSCHAFT (DE) 1983-12-13 US claimed
JP-8208620-A None JP disclosed
EP-4477271-B1 N-(PHENYL)-5-(HETEROARYL)-1H-PYRAZOL-3-AMINE DERIVATIVES AS TNIK INHIBITORS FOR USE IN THE TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2026-05-13 EP disclosed
CN-114394967-B Method for synthesizing pyrazoloquinoline derivative from 2-pyrazolyl aniline and 1, 3-dicarbonyl compound 宁夏农林科学院农业资源与环境研究所(宁夏土壤与植物营养重点实验室) 2023-12-15 CN disclosed
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 EP disclosed
CN-114213412-B Method for synthesizing pyrazoloquinoline compound from 2-pyrazoloaniline derivative and ether under acid catalysis 宁夏农林科学院农业资源与环境研究所(宁夏土壤与植物营养重点实验室) 2022-12-30 CN disclosed
CN-114213412-A Method for synthesizing pyrazoloquinoline compound from 2-pyrazoloaniline derivative and ether under acid catalysis 宁夏农林科学院农业资源与环境研究所(宁夏土壤与植物营养重点实验室) 2022-03-22 CN disclosed
EP-0269806-B1 PHENYLPYRAZOLE CARBONIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS PLANT GROWTH REGULATORS AND ANTIDOTES HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-27 EP disclosed
US-4891057-A Phenylpyrazolecarboxylic acid derivatives, their preparation, and their use as plant-growth regulators and safeners HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-02 US disclosed
EP-0269806-A1 Phenylpyrazole carbonic acid derivatives, their preparation and use as plant growth regulators and antidotes HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-08 EP disclosed
US-4420308-A Process for the production of reserve effects on polyester textiles and polyester/cellulose mixed fibre textiles: discharge printing with disperse azo dye with alkyl or alkoxy carbonyl, cyand and hydroxy phenyl group CASSELLA AKTIENGESELLSCHAFT (DE) 1983-12-13 US disclosed
US-4317823-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-02 US disclosed
EP-0011295-A1 Yellow monoazo dyes of the 2-hydroxydibenzofuran series; their preparation and use for dyeing and printing synthetic hydrophobic fibres Montedison S.p.A. (IT) 1980-05-28 EP disclosed
US-4045428-A Water-soluble reactive naphthylazonaphthyl dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-30 US disclosed