SCHEMBL7401821

SCHEMBL7401821

N=C(N)c1ccc(C2=NOC(CC(=O)NCCC(=O)O)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 1.00
▸ ITGA2B P08514 18/20 1.00
▸ ITGB2 P05107 2/20 1.00
▸ ITGAM P11215 2/20 1.00
▸ F2 P00734 2/20 0.70
▸ F10 P00742 2/20 0.70
▸ PRSS1 P07477 1/20 0.63

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
SCHEMBL21705670 0.89 ITGB3 (0.80) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL12556242 0.85 ITGB3 (0.74) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7090791 0.83 ITGB3 (0.89) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL12517811 0.83 ITGB3 (0.70) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7373045 0.79 MIF (0.72) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7372374 0.79 MIF (0.72) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL21706030 0.77 ITGB3 (0.75) ITGB3ITGA2BITGB2ITGAM
SCHEMBL21706057 0.77 ITGB3 (0.66) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL21706040 0.75 F2 (0.64) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL12556240 0.74 MIF (0.74) ITGB3ITGA2BITGB2ITGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995014682-A1 ISOXAZOLINE COMPOUNDS USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — WO disclosed
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