SCHEMBL6432971

SCHEMBL6432971

COC(=O)c1c(C(=O)O)c2ccccc2n1Cc1cccc(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.58
CCR2 P41597 4/20 0.50
FEN1 P39748 1/20 0.48
AR P10275 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
FOLH1 Q04609 4/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
MAPK8 P45983 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL6432965 0.94 F10 (0.66) F10CCR2FEN1ARALDH1A1
SCHEMBL6432583 0.92 F10 (0.58) F10CCR2FEN1ARALDH1A1
SCHEMBL6436700 0.81 F10 (0.51) F10CCR2FEN1GAAMAPT
SCHEMBL6435208 0.80 F10 (0.71) F10CCR2ALDH1A1GAAMAPT
SCHEMBL6434382 0.80 F10 (0.51) F10ALDH1A1MAPTPKMKLKB1
SCHEMBL13011271 0.80 ROCK2 (0.51) F10CCR2ARKLKB1KLK1
SCHEMBL6437062 0.76 POLB (0.49) F10CCR2GAAMAPTPKM
SCHEMBL6433700 0.76 CCR2 (0.54) F10CCR2ALDH1A1MAPT
SCHEMBL6436902 0.75 F10 (0.47) F10CCR2FEN1ALDH1A1KLKB1
SCHEMBL13062044 0.75 CCR2 (0.51) CCR2FEN1ALDH1A1FOLH1FAAH

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 2 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