SCHEMBL8323018

SCHEMBL8323018

CC(OS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA9 Q16790 6/20 0.43
CA12 O43570 5/20 0.43
CA14 Q9ULX7 5/20 0.43
CA3 P07451 3/20 0.43
CA4 P22748 3/20 0.43
CA6 P23280 3/20 0.43
CA5A P35218 3/20 0.43
CA7 P43166 3/20 0.43
CA13 Q8N1Q1 3/20 0.43

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
SCHEMBL30669392 0.85 ALDH1A1 (0.45) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL28373652 0.81 MAPT (0.43) CYP19A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL28885157 0.81 MAPT (0.43) CYP19A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL1027223 0.81 KMT2A (0.50) CYP19A1MAPTL3MBTL1TSHRTDP1
SCHEMBL2368747 0.80 ALDH1A1 (0.42) CYP19A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL240087 0.80 ALDH1A1 (0.42) CYP19A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL18914287 0.80 ALDH1A1 (0.42) CYP19A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL2367911 0.80 ALDH1A1 (0.42) CYP19A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL14556308 0.80 MAPT (0.50) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL4732249 0.79 MAPT (0.41) CYP19A1MAPTL3MBTL1CYP1A2CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384790-B Fibroblast growth factor receptor inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-05-10 CN disclosed
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
EP-0640595-B1 SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 1999-03-24 EP disclosed
CN-1039228-C Novel substituted tert-amino compund YAMANOUCHI PHARMA CO LTD (JP) 1998-07-22 CN disclosed
US-5538976-A ANTICARCINOGENIC AGENTS AND ENZYME INHIBITORS FOR AROMATASE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US disclosed
EP-0640595-A1 NOVEL SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-01 EP disclosed
CN-1020903-C (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THE PREPARATION THEREFOR JANSSEN PHARMACEUTICA NV (BE) 1993-05-26 CN disclosed
EP-0260744-B1 (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed
US-4859684-A (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and use thereof in treating androgen dependent disorders JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-22 US disclosed
CN-87106423-A Novel (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and process for their preparation 1988-04-20 CN disclosed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 EP disclosed