SCHEMBL6436710

SCHEMBL6436710

CCOC(=O)c1cc2c(O)cccc2n1Cc1cccc(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.55
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 2/20 0.50
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
CCR2 P41597 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
F2 P00734 2/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 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
SCHEMBL6432920 0.91 F10 (0.67) F10MAPTTDP1TSHRLMNA
SCHEMBL6432566 0.89 F10 (0.54) F10MAPTTDP1TSHRLMNA
SCHEMBL6433289 0.85 NOD2 (0.67) F10MAPTTDP1TSHRLMNA
SCHEMBL6432935 0.85 CCR2 (0.64) F10CCR2F2
SCHEMBL6433663 0.84 F10 (0.50) F10MAPTTDP1TSHRLMNA
SCHEMBL6433751 0.83 F10 (0.67) F10MAPTTDP1TSHRLMNA
SCHEMBL6436601 0.80 F10 (0.67) F10F2
SCHEMBL6432762 0.80 CCR2 (0.58) F10MAPTTDP1TSHRLMNA
SCHEMBL6433615 0.80 CCR2 (0.58) F10MAPTTDP1TSHRLMNA
SCHEMBL701977 0.79 KDM4E (0.52) F10MAPTTDP1TSHRLMNA

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