SCHEMBL6436902

SCHEMBL6436902

N#Cc1cccc(Cn2c(C(=O)OCc3ccc(Cl)cc3)c(C(N)=O)c3ccccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.47
CCR2 P41597 5/20 0.46
ADRA1D P25100 1/20 0.43
F2 P00734 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
FEN1 P39748 1/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
CLPP Q16740 1/20 0.38

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
SCHEMBL6436700 0.94 F10 (0.51) F10CCR2ADRA1DF2KDM4E
SCHEMBL6438711 0.80 PIK3R1 (0.44) F10CCR2KDM4EALDH1A1FEN1
SCHEMBL6433028 0.79 PLA2G2A (0.44) F10POLBKLKB1KLK1
SCHEMBL6435691 0.78 PLA2G2A (0.44) F10POLBFEN1KLKB1KLK1
Hydrochloric Acid SCHEMBL6434176 0.77 F10 (0.56) F10CCR2F2KLKB1
SCHEMBL6432965 0.77 F10 (0.66) F10CCR2ALDH1A1FEN1KLKB1
SCHEMBL6433063 0.76 F10 (0.43) F10CCR2ADRA1DPOLBFEN1
SCHEMBL6432971 0.75 F10 (0.58) F10CCR2ALDH1A1FEN1KLKB1
SCHEMBL6432583 0.73 F10 (0.58) F10CCR2ALDH1A1POLBFEN1
SCHEMBL6437062 0.72 POLB (0.49) F10CCR2F2KDM4EMEN1

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