SCHEMBL9425693

SCHEMBL9425693

C=CCC(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.59
▸ PRSS1 P07477 1/20 0.59
▸ PRSS2 P07478 1/20 0.59
▸ PRSS3 P35030 1/20 0.59
▸ TMPRSS6 Q8IU80 1/20 0.59
▸ ST14 Q9Y5Y6 1/20 0.59
▸ ITGB3 P05106 8/20 0.56
▸ ITGA2B P08514 8/20 0.56
▸ F10 P00742 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ PLAU P00749 1/20 0.47
▸ PLAT P00750 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL14599554 0.83 PRSS1 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL31693012 0.78 F2 (0.65) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL841312 0.78 ITGB3 (0.66) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL1189501 0.78 F2 (0.65) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL13094273 0.78 ITGB3 (0.66) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL13094271 0.78 ITGB3 (0.66) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL1438132 0.78 PRSS1 (0.65) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7890748 0.78 CYP1A1 (0.55) —
SCHEMBL15058154 0.77 F2 (0.54) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL30314839 0.77 ITGB3 (0.64) F2PRSS1PRSS2PRSS3TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630366-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1994-12-28 — — EP disclosed
WO-1993008164-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 — — WO disclosed
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