SCHEMBL9254517

SCHEMBL9254517

COC(=O)CCc1ccc(-n2nnc(C3CCN(c4ccc(C(=N)N)cc4)CC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.49
ITGA2B P08514 12/20 0.49
TMPRSS15 P98073 4/20 0.39
PRSS1 P07477 7/20 0.39
F2 P00734 4/20 0.39
PLG P00747 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
F10 P00742 5/20 0.38
PRSS2 P07478 5/20 0.38
PRSS3 P35030 5/20 0.38
TMPRSS6 Q8IU80 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL9253831 0.90 UBE2T (0.40) ITGB3ITGA2BTMPRSS15PRSS1F2
SCHEMBL9258264 0.89 ITGB3 (0.64) ITGB3ITGA2BPRSS1F2PLG
SCHEMBL9257817 0.83 HPGD (0.43) ITGB3ITGA2BTMPRSS15PRSS1F2
SCHEMBL9251339 0.80 HPGD (0.49) ITGB3ITGA2BPRSS1F2F10
Hydrochloric Acid SCHEMBL8988825 0.79 ITGB3 (0.52) ITGB3ITGA2BPRSS1F2PLG
Hydrochloric Acid SCHEMBL9254302 0.79 HPGD (0.48) ITGB3ITGA2BPRSS1F2F10
SCHEMBL9254596 0.79 ITGB3 (0.50) ITGB3ITGA2BTMPRSS15PRSS1F2
SCHEMBL9248696 0.76 PKM (0.43) ITGB3ITGA2BTMPRSS15PRSS1F2
SCHEMBL9251456 0.75 ITGB3 (0.42) ITGB3ITGA2BTMPRSS15PRSS1F2
SCHEMBL9253862 0.73 ITGB3 (0.53) ITGB3ITGA2BPRSS1F2F10

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
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US claimed