SCHEMBL9055609

SCHEMBL9055609

Cc1cnc2c(S(=O)(=O)N[C@@H](CNc3ncc[nH]3)C(=O)N3CC[C@@H](C)C[C@H]3OC(=O)O)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.36
ITGAV P06756 7/20 0.36
ITGA2B P08514 6/20 0.36
F2 P00734 4/20 0.36
PRSS1 P07477 2/20 0.35
F10 P00742 2/20 0.35
LMNA P02545 1/20 0.35
PLAT P00750 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9055954 0.93 ITGB3 (0.34) ITGB3ITGAVITGA2BF2PRSS1
SCHEMBL9056442 0.86 CCR10 (0.44) ITGB3ITGAVITGA2BF2F10
SCHEMBL9055310 0.86 F2 (0.40) ITGB3ITGAVITGA2BF2PRSS1
SCHEMBL9055946 0.81 HTR6 (0.33) ITGB3ITGAVITGA2BF2MAPT
SCHEMBL9054483 0.81 F2 (0.44) ITGB3ITGAVITGA2BF2PRSS1
SCHEMBL9054934 0.80 F2 (0.46) ITGB3ITGAVITGA2BF2PRSS1
SCHEMBL9055315 0.80 F2 (0.41) ITGB3ITGAVITGA2BF2PRSS1
SCHEMBL9055403 0.79 F2 (0.44) ITGB3ITGAVITGA2BF2PRSS1
SCHEMBL9055617 0.79 F2 (0.44) ITGB3ITGAVITGA2BF2PRSS1
SCHEMBL9055553 0.79 CCR10 (0.46) ITGB3ITGAVITGA2B

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