SCHEMBL6433751

SCHEMBL6433751

Cc1cccc2c1cc(C(=O)OCc1cccc(C#N)c1)n2Cc1cccc(C#N)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.67
F2 P00734 4/20 0.49
CCR2 P41597 1/20 0.49
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
KLKB1 P03952 1/20 0.41
KLK1 P06870 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
SCHEMBL6432920 0.93 F10 (0.67) F10F2CCR2MAPTTDP1
SCHEMBL6432567 0.86 F10 (0.66) F10F2CCR2POLBNOD2
SCHEMBL6432960 0.86 CCR2 (0.65) F10F2CCR2
SCHEMBL6436710 0.83 F10 (0.55) F10F2CCR2MAPTTDP1
SCHEMBL6432566 0.82 F10 (0.54) F10CCR2MAPTTDP1LMNA
SCHEMBL6433289 0.81 NOD2 (0.67) F10F2CCR2MAPTTDP1
SCHEMBL6433663 0.81 F10 (0.50) F10CCR2MAPTTDP1LMNA
Acetic Acid SCHEMBL7717794 0.78 F10 (0.94) F10F2
SCHEMBL6433700 0.78 CCR2 (0.54) F10CCR2MAPTLMNASMN1; SMN2
SCHEMBL7420738 0.77 F10 (0.70) F10F2CCR2

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