SCHEMBL9054644

SCHEMBL9054644

CN(C)c1ccc(S(=O)(=O)NC(CCC(N)c2ncc[nH]2)C(=O)N2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
F2 P00734 6/20 0.41
AIMP2 Q13155 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9056447 0.91 PLAU (0.42) PLAUF2AIMP2MEN1KMT2A
SCHEMBL9055420 0.84 MMP13 (0.36) PLAUF2MEN1KMT2A
SCHEMBL9055583 0.83 MMP13 (0.36) F2MEN1KMT2A
SCHEMBL9054638 0.83 F2 (0.51) F2
SCHEMBL9054647 0.82 MMP13 (0.34) PLAUF2
SCHEMBL9054987 0.81 CCR10 (0.54)
SCHEMBL9054991 0.81 CCR10 (0.54)
SCHEMBL9056668 0.81 MMP13 (0.34) F2MEN1KMT2A
SCHEMBL9056437 0.75 F2 (0.46) F2
SCHEMBL9054473 0.73 CCR10 (0.68)

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