SCHEMBL7403231

SCHEMBL7403231

NN=CNCCCCCCCNC(=O)NC(CC(=O)O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.46
ITGA2B P08514 5/20 0.46
SUCNR1 Q9BXA5 2/20 0.45
FLT4 P35916 2/20 0.43
CDK2 P24941 1/20 0.43
FES P07332 1/20 0.42
RET P07949 1/20 0.42
MARK3 P27448 1/20 0.42
TYK2 P29597 1/20 0.42
SYK P43405 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ITGAV P06756 5/20 0.39
EPHX2 P34913 4/20 0.39
TBXAS1 P24557 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL6947579 0.85 ITGB3 (0.51) ITGB3ITGA2BSUCNR1ITGAVTBXAS1
SCHEMBL6946972 0.85 ITGB3 (0.53) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL4924109 0.84 ITGB3 (0.52) ITGB3ITGA2BSUCNR1ITGAVTBXAS1
SCHEMBL7403227 0.84 ITGB3 (0.53) ITGB3ITGA2BSUCNR1FLT4CDK2
SCHEMBL6950494 0.83 ITGB3 (0.51) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL7386330 0.83 EPHX2 (0.43) ITGB3ITGA2BSUCNR1EPHX2
SCHEMBL7386316 0.79 ITGB3 (0.59) ITGB3ITGA2BSUCNR1EPHX2
SCHEMBL6948963 0.75 ITGB3 (0.46) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL9293684 0.75 TSHR (0.41) EPHX2
SCHEMBL7391732 0.74 ITGB3 (0.54) ITGB3ITGA2BSUCNR1ITGAV

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
US-5614539-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1997-03-25 US claimed
WO-1994021602-A1 UREA DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-09-29 WO claimed
US-5614539-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1997-03-25 US disclosed
WO-1994021602-A1 UREA DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-09-29 WO disclosed