SCHEMBL9055420

SCHEMBL9055420

CN(C)c1ccc(S(=O)(=O)N[C@@H](CC[C@H](N)c2ncc[nH]2)C(=O)N2CCCC[C@H]2OC(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.36
HTT P42858 2/20 0.34
CCR10 P46092 3/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADAMTS7 Q9UKP4 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 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
SCHEMBL9055583 0.98 MMP13 (0.36) MMP13HTTCCR10ALDH1A1MEN1
SCHEMBL9054647 0.92 MMP13 (0.34) MMP13HTTCCR10ALDH1A1ADAMTS7
SCHEMBL9056668 0.89 MMP13 (0.34) MMP13ALDH1A1MEN1KMT2AADAMTS7
SCHEMBL9054644 0.84 PLAU (0.43) MEN1KMT2AF2PLAU
SCHEMBL9055077 0.79 F2 (0.37) F2PLAU
SCHEMBL9055516 0.79 ITGB3 (0.40) F2
SCHEMBL9055832 0.78 CCR10 (0.44) CCR10ALDH1A1
SCHEMBL9056447 0.77 PLAU (0.42) ALDH1A1MEN1KMT2AF2PLAU
SCHEMBL9055502 0.77 F2 (0.40) F2
SCHEMBL9056670 0.76 CCR10 (0.51) CCR10

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