SCHEMBL193935

SCHEMBL193935

Cn1c[c]c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.37
NQO2 P16083 1/20 0.36
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
IMPDH2 P12268 2/20 0.31
SLC9A1 P19634 1/20 0.31
KEAP1 Q14145 1/20 0.31
CA12 O43570 2/20 0.30
CA9 Q16790 2/20 0.30
BRD4 O60885 1/20 0.30
BRPF1 P55201 1/20 0.30
KAT2B Q92831 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6236614 0.73 SLC9A1 (0.37) ALDH1A1MAPTKDM4ESLC9A1
SCHEMBL7288679 0.71
SCHEMBL5373174 0.71 KDM4E (0.34) KDM4E
SCHEMBL8588798 0.71 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL405536 0.71 TSHR (0.33) ALDH1A1MAPT
SCHEMBL2268788 0.71 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL5497340 0.71 ALDH1A1 (0.34) ALDH1A1MAPTKDM4ERXFP1SLC9A1
SCHEMBL10813815 0.71
SCHEMBL2784532 0.70 SLC9A1 (0.40) ALDH1A1KDM4ESLC9A1
SCHEMBL2880863 0.70 DYRK1A (0.40) ALDH1A1MAPT

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 2572 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
CN-115737650-B Application of pyrimidine derivative or pharmaceutically acceptable salt thereof in preparation of medicine for treating tuberculosis 复旦大学 2024-06-28 CN claimed
CN-115650974-B N- [5- (pyrimidine-2-amino) -2, 4-disubstituted phenyl ] -cis-pentadiene amide derivative and application thereof 天津大学 2024-06-18 CN claimed
CN-118164990-A Method for synthesizing pyrazolo [1,5-a ] [1,3,5] triazine derivative intermediate by boron trifluoride catalysis under microwave radiation 陕西师范大学 2024-06-11 CN claimed
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-06-06 US claimed
US-20240174588-A1 METHOD FOR PREPARING CHIRAL ALKYL COMPOUNDS BY ASYMMETRIC HYDROGENATION OF OLEFINS CATALYZED BY IRON COMPLEX ZHEJIANG UNIVERSITY (CN) 2024-05-30 US claimed
CN-112457298-B Substituted 2-anilinopyrimidine derivatives and their use as epidermal growth factor receptor modulators 贝达医药公司 2024-05-07 CN claimed
CN-113975274-B Cyclic fused thiazoline 2-pyridones, method for the production thereof and use thereof for the treatment and/or prophylaxis of tuberculosis 快尔生物技术公司 2024-04-09 CN claimed
US-20240109916-A1 CYTOTOXIC AGENTS PHEON THERAPEUTICS LTD (GB) 2024-04-04 US claimed
CN-113549018-B Protein kinase inhibitor and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 CN claimed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 US claimed
EP-0084941-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-11 EP claimed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 EP claimed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US claimed
EP-0045165-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITORS CONTAINING SUCH DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1986-03-12 EP claimed
US-4528282-A Amide derivatives IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-07-09 US claimed
EP-0047109-B1 RHODANINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITOR CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP claimed
EP-0084941-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-03 EP claimed
EP-0047109-A1 Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-10 EP claimed
US-4251538-A Indolealkylamines and processes for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-02-17 US claimed