SCHEMBL9055918

SCHEMBL9055918

CN([C@@H](CCCNc1ncc[nH]1)C(=O)N1CCCCC1)S(=O)(=O)c1cccc2c1NCCC2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.43
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CCR10 P46092 2/20 0.32

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
SCHEMBL9059238 0.93 F2 (0.43) F2
SCHEMBL9056480 0.83 F2 (0.42) F2
SCHEMBL9056137 0.82 F2 (0.40) F2
SCHEMBL9054863 0.80 F2 (0.40) F2ITGB3ITGAVITGA2B
SCHEMBL9058550 0.74 F2 (0.75) F2
SCHEMBL9055655 0.73 F2 (0.39) F2ITGB3ITGAVITGA2BCCR10
SCHEMBL9055067 0.72 F2 (0.75) F2
SCHEMBL9062258 0.72 F2 (0.45) F2ITGB3ITGAVITGA2B
SCHEMBL9057780 0.71 ITGB3 (0.39) F2MMP1MMP2MMP3MMP8
SCHEMBL9055877 0.70 F2 (0.47) F2

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