SCHEMBL6164084

SCHEMBL6164084

N=C(N)c1cccc(C2CC2(C(N)=O)c2ccc(-c3ncc[nH]3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.43
PRSS1 P07477 3/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PARP1 P09874 1/20 0.38
MAPK14 Q16539 1/20 0.34
NISCH Q9Y2I1 2/20 0.33
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
SYK P43405 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33

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
SCHEMBL6166702 0.74 F10 (0.44) F10
SCHEMBL6162361 0.74 F10 (0.39) F10PRSS1
SCHEMBL6163520 0.74 F10 (0.48) F10PRSS1PRSS2PRSS3
SCHEMBL6163390 0.72 NR1I2 (0.36) F10PRSS1PRSS2PRSS3
SCHEMBL4619675 0.69 KDM4E (0.62) F10PRSS1KDM4EALDH1A1PARP1
SCHEMBL6166521 0.68 F10 (0.50) F10PRSS1PRSS2PRSS3
SCHEMBL6165380 0.67 F10 (0.44) F10PRSS1PRSS2PRSS3
SCHEMBL5481767 0.65 PRKCI (0.55) KDM4EALDH1A1PARP1NISCHMTOR
SCHEMBL6165684 0.65 F10 (0.43) F10PRSS1PRSS2PRSS3
SCHEMBL13901202 0.65 F10 (0.71) F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed