SCHEMBL28096705

SCHEMBL28096705

CC(C)(C)OC(=O)NC(F)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
ALOX5 P09917 1/20 0.50
NPC1 O15118 1/20 0.50
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CTSB P07858 2/20 0.43
NR3C2 P08235 1/20 0.43
CTSL P07711 1/20 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
SCHEMBL3060705 0.87 MAPT (0.51) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL9956671 0.85 ACE (0.59) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL2727571 0.85 ACE (0.59) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL3222312 0.85 MAPT (0.52) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL2728490 0.85 KLK5 (0.55) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL3216191 0.85 MAPT (0.49) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL2727573 0.85 ACE (0.59) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL3222299 0.85 MAPT (0.52) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL29643038 0.85 MAPT (0.52) MAPTSMN1; SMN2RAB9AALOX5NPC1
SCHEMBL29469017 0.85 ACE (0.59) MAPTSMN1; SMN2RAB9AALOX5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110354128-A Pyrimidine FGFR4 inhibitors 卫材R&D管理有限公司 2019-10-22 CN disclosed
CN-105899490-B Pyrimidine FGFR4 Inhibitors 卫材R&D管理有限公司 2019-07-23 CN disclosed
CN-107295798-A Benzazepine dicarboxamide compound 豪夫迈·罗氏有限公司 2017-10-24 CN disclosed
CN-105899490-A Pyrimidine fgfr4 inhibitors 卫材R&D管理有限公司 2016-08-24 CN disclosed