SCHEMBL6433663

SCHEMBL6433663

CCOC(=O)c1cc2c(OCc3ccccc3)cccc2n1Cc1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.50
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
CCR2 P41597 2/20 0.45
RXFP1 Q9HBX9 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PPIA P62937 1/20 0.42
MAPK14 Q16539 1/20 0.42
FFAR1 O14842 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
SCHEMBL6432404 0.88 CCR2 (0.57) F10CCR2MRGPRX4PPIAFFAR1
SCHEMBL6432920 0.85 F10 (0.67) F10MAPTTDP1TSHRLMNA
SCHEMBL6436710 0.84 F10 (0.55) F10MAPTTDP1TSHRLMNA
SCHEMBL702060 0.84 F10 (0.48) F10MAPTTDP1TSHRLMNA
SCHEMBL6432566 0.84 F10 (0.54) F10MAPTTDP1TSHRLMNA
SCHEMBL6439399 0.83 F10 (0.60) F10MAPTTDP1TSHRLMNA
SCHEMBL6433289 0.82 NOD2 (0.67) F10MAPTTDP1TSHRLMNA
SCHEMBL6433751 0.81 F10 (0.67) F10MAPTTDP1TSHRLMNA
SCHEMBL5584288 0.81 MAPT (0.46) F10MAPTTDP1TSHRLMNA
SCHEMBL6433700 0.79 CCR2 (0.54) F10MAPTLMNASMN1; SMN2ALDH1A1

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