SCHEMBL4198065

SCHEMBL4198065

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.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(O)c(C4CCCCC4)c3)CC2)s1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
TBXA2R P21731 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 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
SCHEMBL4970353 0.97 MEN1 (0.39) MEN1KMT2AMAPTSIRT2EPHX2
SCHEMBL7439831 0.92 MEN1 (0.43) MEN1KMT2AMAPTSIRT2ALDH1A1
SCHEMBL2418429 0.89 MEN1 (0.46) MEN1KMT2AMAPTSIRT2ALDH1A1
SCHEMBL2426776 0.87 MEN1 (0.44) MEN1KMT2ASIRT2EPHX2ALDH1A1
SCHEMBL4968679 0.86 MAPK9 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2419389 0.84 KMT2A (0.50) MEN1KMT2AMAPTSIRT2ALDH1A1
SCHEMBL4197299 0.81 MAPK9 (0.47) MEN1KMT2AMAPTEPHX2ALDH1A1
SCHEMBL2419313 0.80 MEN1 (0.49) MEN1KMT2AMAPTSIRT2ALDH1A1
SCHEMBL2423188 0.79 KMT2A (0.48) MEN1KMT2AMAPTSIRT2EPHX2
SCHEMBL2421018 0.79 ALDH1A1 (0.47) MEN1KMT2AMAPTSIRT2EPHX2

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-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed