SCHEMBL6432819

SCHEMBL6432819

N=C(N)c1cccc(Cn2c(C(=O)O)cc3ccccc32)c1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.84
F2 P00734 1/20 0.74
PLA2G10 O15496 1/20 0.74
CCR2 P41597 5/20 0.69

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
SCHEMBL3963187 0.91 PLA2G10 (0.83) F10F2PLA2G10CCR2
SCHEMBL27497454 0.88 PLA2G10 (0.74) F10F2PLA2G10CCR2
SCHEMBL12589590 0.87 F10 (1.00) F10F2
Trifluoroacetic Acid SCHEMBL7717765 0.87 F10 (0.85) F10F2PLA2G10
Iodide SCHEMBL7424045 0.86 CCR2 (0.71) F10F2PLA2G10CCR2
SCHEMBL6433216 0.86 F10 (0.78) F10F2PLA2G10CCR2
SCHEMBL6434124 0.86 CCR2 (0.66) F10F2PLA2G10CCR2
SCHEMBL6435748 0.84 F10 (1.00) F10F2PLA2G10
Acetic Acid SCHEMBL6436891 0.84 F10 (0.94) F10F2
SCHEMBL6435781 0.84 F10 (0.82) F10F2PLA2G10CCR2

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