SCHEMBL7429684

SCHEMBL7429684

CCN(Cc1ccncc1)C(=O)c1cc2ccccc2n1Cc1cccc(C(N)=S)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.59
PLA2G10 O15496 1/20 0.51
F2 P00734 1/20 0.46
KLK1 P06870 1/20 0.42
CCR2 P41597 3/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL7428962 0.89 F10 (0.62) F10PLA2G10F2KLK1
SCHEMBL7429297 0.83 F10 (0.50) F10PLA2G10CCR2ALDH1A1USP2
SCHEMBL6436996 0.80 F10 (0.71) F10PLA2G10F2
SCHEMBL6434131 0.78 F10 (0.59) F10PLA2G10F2
SCHEMBL27497454 0.77 PLA2G10 (0.74) F10PLA2G10F2CCR2
SCHEMBL6436769 0.77 F10 (0.67) F10PLA2G10F2
SCHEMBL6433559 0.76 F10 (0.81) F10PLA2G10F2CCR2ALDH1A1
Trifluoroacetic Acid SCHEMBL7717781 0.75 F10 (1.00) F10F2
SCHEMBL6433197 0.74 F10 (0.68) F10PLA2G10F2
Trifluoroacetic Acid SCHEMBL7717780 0.73 F10 (0.96) F10F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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