SCHEMBL6432965

SCHEMBL6432965

COC(=O)c1c(C(=O)OC)n(Cc2cccc(C#N)c2)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.66
AR P10275 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
CCR2 P41597 4/20 0.43
FEN1 P39748 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
TP53 P04637 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
MAPK8 P45983 1/20 0.42
HCRTR2 O43614 1/20 0.41
FAAH O00519 1/20 0.41
PARG Q86W56 1/20 0.41
EDNRB P24530 1/20 0.41

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
SCHEMBL6432971 0.94 F10 (0.58) F10ARALDH1A1GAAMAPT
SCHEMBL6432583 0.94 F10 (0.58) F10ARALDH1A1GAAMAPT
SCHEMBL6434382 0.86 F10 (0.51) F10ALDH1A1MAPTPKMKLKB1
SCHEMBL13011271 0.82 ROCK2 (0.51) F10ARKLKB1KLK1CCR2
SCHEMBL6436700 0.81 F10 (0.51) F10GAAMAPTPKMKLKB1
SCHEMBL6435201 0.80 F10 (0.81) F10ALDH1A1GAAMAPTPKM
SCHEMBL6437062 0.78 POLB (0.49) F10GAAMAPTPKMKLKB1
SCHEMBL6433700 0.77 CCR2 (0.54) F10ALDH1A1MAPTCCR2PIK3R1
SCHEMBL14809872 0.77 F10 (0.61) F10ALDH1A1GAAMAPTPKM
SCHEMBL6436902 0.77 F10 (0.47) F10ALDH1A1KLKB1KLK1CCR2

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