SCHEMBL6433063

SCHEMBL6433063

N#Cc1cccc(Cn2c(C(=O)OC(c3ccccc3)c3ccncc3)c(C(N)=O)c3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.43
FEN1 P39748 1/20 0.39
CCR2 P41597 3/20 0.37
CFTR P13569 1/20 0.37
HIF1A Q16665 1/20 0.36
ROCK2 O75116 2/20 0.36
POLB P06746 1/20 0.36
ERCC5 P28715 1/20 0.35
BUB1 O43683 1/20 0.35
ADRA1D P25100 1/20 0.35
AR P10275 1/20 0.35
ROCK1 Q13464 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL6433278 0.87 PLA2G2A (0.45) F10POLBBUB1
SCHEMBL6436700 0.81 F10 (0.51) F10FEN1CCR2ADRA1D
SCHEMBL6436902 0.76 F10 (0.47) F10FEN1CCR2POLBADRA1D
SCHEMBL6432971 0.74 F10 (0.58) F10FEN1CCR2AR
SCHEMBL6432965 0.74 F10 (0.66) F10FEN1CCR2AR
SCHEMBL6433343 0.74 F10 (0.49) F10
SCHEMBL6434382 0.73 F10 (0.51) F10ROCK2POLBBUB1
SCHEMBL6432583 0.73 F10 (0.58) F10FEN1CCR2POLBAR
SCHEMBL6435752 0.71 F10 (0.53) F10
SCHEMBL6436680 0.70 PLA2G2A (0.41) F10POLBBUB1

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-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed