SCHEMBL9056447

SCHEMBL9056447

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
F2 P00734 5/20 0.40
POLB P06746 1/20 0.37
AIMP2 Q13155 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9054644 0.91 PLAU (0.43) PLAUF2AIMP2MEN1KMT2A
SCHEMBL9056437 0.84 F2 (0.46) F2
SCHEMBL9054991 0.80 CCR10 (0.54)
SCHEMBL9054987 0.80 CCR10 (0.54)
SCHEMBL9055420 0.77 MMP13 (0.36) PLAUF2MEN1KMT2AALDH1A1
SCHEMBL9054647 0.76 MMP13 (0.34) PLAUF2POLBALDH1A1
SCHEMBL9055583 0.76 MMP13 (0.36) F2MEN1KMT2AALDH1A1
SCHEMBL9054638 0.75 F2 (0.51) F2
SCHEMBL9056668 0.75 MMP13 (0.34) F2POLBMEN1KMT2AALDH1A1
SCHEMBL9056304 0.73 CCR10 (0.57)

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