SCHEMBL17830

SCHEMBL17830

[c]1ccc2cccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HTT P42858 3/20 0.44
CASP1 P29466 2/20 0.44
MEN1 O00255 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR4A2 P43354 1/20 0.44
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
HSP90AA1 P07900 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL18329 0.83 ALDH1A1 (0.54) ALDH1A1HTTCASP1MEN1CASP7
SCHEMBL17511948 0.79 NPC1 (0.44) ALDH1A1HTTCASP1MEN1CASP7
SCHEMBL17511958 0.79 NPC1 (0.44) ALDH1A1HTTCASP1MEN1CASP7
SCHEMBL3688943 0.77 POLB (0.54) ALDH1A1HTTCASP1MEN1CASP7
SCHEMBL9479132 0.75 CYP3A4 (0.61) ALDH1A1HTTCASP1MEN1CASP7
Quinoline SCHEMBL405162 0.74 ALDH1A1 (0.94) ALDH1A1HTTCASP1MEN1CASP7
Quinoline SCHEMBL28512615 0.74 ALDH1A1 (0.94) ALDH1A1HTTCASP1MEN1CASP7
Quinoline SCHEMBL2790076 0.74 ALDH1A1 (0.94) ALDH1A1HTTCASP1MEN1CASP7
Quinoline SCHEMBL27615425 0.74 ALDH1A1 (0.94) ALDH1A1HTTCASP1MEN1CASP7
Quinoline SCHEMBL27258190 0.74 ALDH1A1 (0.94) ALDH1A1HTTCASP1MEN1CASP7

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

Appears in 8909 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392032-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME Arena Pharmaceuticals, Inc. (US) 2024-07-03 EP claimed
US-11999727-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2024-06-04 US claimed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US claimed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN claimed
US-20240101538-A1 PROTEIN-PROTEIN INTERACTION MODULATORS OF AURORA KINASE A AND THEIR USE IN THE PREVENTION AND/OR TREATMENT OF CANCER EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2024-03-28 US claimed
EP-3532474-B1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AG (DE) 2024-03-27 EP claimed
CN-111527099-B Selective inhibitors of protein arginine methyltransferase 5 (PRMT 5) 普莱鲁德疗法有限公司 2024-03-22 CN claimed
WO-2024040497-A1 ANTIVIRAL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 清华大学 2024-02-29 WO claimed
WO-2023246935-A1 TARGET-SPECIFIC NUCLEIC ACID MOLECULE HAVING QUINOLINE MODIFICATION 安沛治疗有限公司 2023-12-28 WO claimed
US-20230391763-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2023-12-07 US claimed
EP-0420511-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP claimed
CN-1046903-A Process for preparing heterocyclic ether derivatives ICI PLC (GB) 1990-11-14 CN claimed
EP-0385679-A2 Heterocyclic cyclic ethers with inhibitory activity on 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0385663-A2 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0385680-A2 Heterocyclic ethers as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP claimed
CN-87105204-A ACYL DERIVATIVES 1988-06-29 CN claimed
US-4262851-A HIGH SPEED MILLING WITHOUT SURFACTANTS BASF AKTIENGESELLSCHAFT (DE) 1981-04-21 US claimed
US-4025510-A DYES FOR POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-05-24 US claimed