SCHEMBL4970353

SCHEMBL4970353

CCCCNS(=O)(=O)c1cccc(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 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.35
G6PD P11413 1/20 0.34
TBXA2R P21731 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4198065 0.97 MEN1 (0.37) MEN1KMT2ASIRT2MAPTEPHX2
SCHEMBL2418429 0.92 MEN1 (0.46) MEN1KMT2ASIRT2MAPTALDH1A1
SCHEMBL2426776 0.90 MEN1 (0.44) MEN1KMT2ASIRT2EPHX2ALDH1A1
SCHEMBL4968679 0.89 MAPK9 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7439831 0.88 MEN1 (0.43) MEN1KMT2ASIRT2MAPTALDH1A1
SCHEMBL2423188 0.82 KMT2A (0.48) MEN1KMT2ASIRT2MAPTEPHX2
SCHEMBL2421018 0.82 ALDH1A1 (0.47) MEN1KMT2ASIRT2MAPTEPHX2
SCHEMBL2428331 0.81 KMT2A (0.51) MEN1KMT2ASIRT2EPHX2ALDH1A1
SCHEMBL2423593 0.81 KMT2A (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2425330 0.80 MAPK9 (0.51) MEN1KMT2AEPHX2ALDH1A1LMNA

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-1904181-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007011762-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed