SCHEMBL9440340

SCHEMBL9440340

N=C(N)c1ccc(NC(=O)/C=C\C(=O)NCCC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.67
▸ ITGA2B P08514 10/20 0.67
▸ F2 P00734 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ TMPRSS6 Q8IU80 1/20 0.50
▸ ST14 Q9Y5Y6 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL7343876 1.00 ITGB3 (0.67) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7356426 0.83 ITGB3 (0.49) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7345863 0.83 ITGB3 (0.49) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7138521 0.81 ALDH1A1 (0.64) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7347492 0.81 ITGB3 (1.00) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9335890 0.81 ITGB3 (0.71) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL6983843 0.80 ALDH1A1 (0.62) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7388492 0.80 ITGB3 (0.82) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8519626 0.80 ITGB3 (0.69) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7390323 0.76 ITGB3 (0.76) ITGB3ITGA2BF2PRSS1PRSS2

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
EP-0614360-A1 SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1994-09-14 — — EP disclosed
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