SCHEMBL9055583

SCHEMBL9055583

CN(C)c1ccc(S(=O)(=O)N[C@@H](CC[C@H](N)c2ncc[nH]2)C(=O)N2CCC[C@H]2OC(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.36
HTT P42858 1/20 0.33
ADAMTS7 Q9UKP4 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
CCR10 P46092 4/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL9055420 0.98 MMP13 (0.36) MMP13HTTADAMTS7ADAMTS5CCR10
SCHEMBL9056668 0.92 MMP13 (0.34) MMP13ADAMTS7ADAMTS5MEN1ALDH1A1
SCHEMBL9054647 0.89 MMP13 (0.34) MMP13HTTADAMTS7ADAMTS5CCR10
SCHEMBL9054644 0.83 PLAU (0.43) MEN1KMT2AF2
SCHEMBL9055077 0.77 F2 (0.37) F2
SCHEMBL9055516 0.76 ITGB3 (0.40) ITGB3ITGAVITGA2BF2
SCHEMBL9056670 0.76 CCR10 (0.51) CCR10
SCHEMBL9056447 0.76 PLAU (0.42) MEN1ALDH1A1KMT2AF2
SCHEMBL9055502 0.76 F2 (0.40) ITGB3ITGAVITGA2BF2
SCHEMBL9055832 0.75 CCR10 (0.44) CCR10ALDH1A1

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