SCHEMBL7439831

SCHEMBL7439831

CCCCNS(=O)(=O)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc([N+](=O)[O-])c4)s3)CC2)c1.CCc1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc([N+](=O)[O-])c4)s3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.36
CCR2 P41597 1/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
G6PD P11413 1/20 0.35

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
SCHEMBL2418429 0.96 MEN1 (0.46) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL4198065 0.92 MEN1 (0.37) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL2419389 0.91 KMT2A (0.50) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL4970353 0.88 MEN1 (0.39) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL4197299 0.88 MAPK9 (0.47) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL2419313 0.87 MEN1 (0.49) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL2423188 0.85 KMT2A (0.48) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL2428331 0.85 KMT2A (0.51) MEN1KMT2ALMNAMAPK1SIRT2
SCHEMBL2423593 0.84 KMT2A (0.48) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL2421018 0.84 ALDH1A1 (0.47) MEN1KMT2AMAPTLMNAMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 EP claimed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO claimed