SCHEMBL9057064

SCHEMBL9057064

O=C([C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1cccc2cccnc12)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.51
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA2B P08514 2/20 0.43
CCR10 P46092 2/20 0.42

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
SCHEMBL9055985 0.87 F2 (0.54) F2ITGB3ITGAVITGA2BCCR10
SCHEMBL9055048 0.86 F2 (0.53) F2ITGB3ITGAVITGA2BCCR10
SCHEMBL9056463 0.86 F2 (0.44) F2GAAMAPTNPSR1TSHR
SCHEMBL9056480 0.84 F2 (0.42) F2MAPTTSHRALOX15HPGD
SCHEMBL9056467 0.84 ITGB3 (0.43) F2GAAMAPTNPSR1TSHR
SCHEMBL9057068 0.84 F2 (0.51) F2ITGB3ITGAVITGA2B
SCHEMBL9055222 0.82 F2 (0.58) F2ITGB3ITGAVITGA2B
SCHEMBL9055898 0.82 ITGB3 (0.46) GAAMAPTNPSR1TSHRITGB3
SCHEMBL9055067 0.82 F2 (0.75) F2
SCHEMBL9054913 0.81 ALDH1A1 (0.43) F2GAAMAPTNPSR1TSHR

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