SCHEMBL3818476

SCHEMBL3818476

NC(=O)c1c[c]c(-n2ccccc2=O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
F10 P00742 12/20 0.35
KLKB1 P03952 1/20 0.34
SYK P43405 1/20 0.33
PARP10 Q53GL7 2/20 0.33
PARP14 Q460N5 1/20 0.33
MAPK1 P28482 1/20 0.33
PARP15 Q460N3 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31

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
SCHEMBL1030894 0.77 F10 (0.47) DGAT1F10KLKB1SYKPARP10
Hydrochloric Acid SCHEMBL4999282 0.76 F10 (0.47) DGAT1F10KLKB1SYKPARP10
Trifluoroacetic Acid SCHEMBL3448168 0.71 F10 (0.45) DGAT1F10KLKB1MAPK1
SCHEMBL6592684 0.71 F10 (0.42) F10KLKB1
SCHEMBL27729337 0.69 HTR1A (0.32)
SCHEMBL4056635 0.69 F10 (0.53) F10
SCHEMBL4730136 0.67 F10 (0.41) F10KLKB1SYK
SCHEMBL1027240 0.67 F10 (0.48) F10MAPK1
SCHEMBL4438362 0.67 F10 (0.41) F10KLKB1SYKMAPK1
SCHEMBL4591950 0.66 F10 (0.46) F10KLKB1SYKMAPK1

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
EP-2086962-A1 (R) -5-METHYL-4, 5-DIHYDRO- PYRAZOLE-1, 5-DICARBOXYLIC ACID 1- [( 4 -CHLOROPHENYL) AMIDE 5-{ [2-FLUORO-4- (2-OXO-2H-PYRIDIN-1-YL) -PHENYL]AMIDE) AS A FACTOR XA INHIBITOR Pfizer Products Inc. (US) 2009-08-12 EP disclosed
WO-2008065503-A1 (R) -5-METHYL-4, 5-DIHYDRO- PYRAZOLE-1, 5-DICARBOXYLIC ACID 1- [ ( 4 -CHLOROPHENYL) AMIDE 5-{ [2-FLUORO-4- (2-OXO-2H-PYRIDIN-1-YL) -PHENYL]AMIDE) AS A FACTOR XA INHIBITOR PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed