SCHEMBL9055326

SCHEMBL9055326

CCOC(=O)CN(C(=O)[C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1cccc2cc(C)cnc12)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.40
ITGAV P06756 15/20 0.40
ITGA2B P08514 14/20 0.40
PDE2A O00408 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
PYGL P06737 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9056960 0.99 ITGB3 (0.40) ITGB3ITGAVITGA2BPDE2APDE3B
SCHEMBL9056228 0.99 ITGB3 (0.41) ITGB3ITGAVITGA2BPDE2APDE3B
SCHEMBL9055221 0.92 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL9055218 0.92 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL9055303 0.89 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL9056911 0.89 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL9054860 0.84 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL9056601 0.84 SLC16A3 (0.34) PDE2APDE3BPDE3AP2RY12ALDH1A1
SCHEMBL9058887 0.83 F2 (0.48)
SCHEMBL9058724 0.83 F2 (0.49)

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-1996002517-A1 SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed