SCHEMBL4968428

SCHEMBL4968428

CC(C)(C)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc([N+](=O)[O-])c4)s3)CC2)c1.CCCc1ccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc([N+](=O)[O-])c4)s3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ABCG2 Q9UNQ0 1/20 0.40
CCR2 P41597 3/20 0.38
ALDH1A1 P00352 3/20 0.37
TGM2 P21980 1/20 0.37
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
LMNA P02545 2/20 0.36
G6PD P11413 1/20 0.36
MAPK1 P28482 1/20 0.36
DDIT3 P35638 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 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
SCHEMBL7440613 0.94 KMT2A (0.44) MEN1KMT2AABCG2CCR2ALDH1A1
SCHEMBL2425351 0.93 MEN1 (0.49) MEN1KMT2AABCG2CCR2ALDH1A1
SCHEMBL2421088 0.93 KMT2A (0.48) MEN1KMT2ACCR2ALDH1A1MAPK9
SCHEMBL2419313 0.90 MEN1 (0.49) MEN1KMT2AABCG2CCR2ALDH1A1
SCHEMBL7437813 0.88 KMT2A (0.47) MEN1KMT2ACCR2ALDH1A1MAPK9
SCHEMBL2423290 0.87 KMT2A (0.48) MEN1KMT2ACCR2ALDH1A1TGM2
SCHEMBL2419207 0.86 MEN1 (0.46) MEN1KMT2ACCR2MAPK9MAPK10
SCHEMBL2428331 0.86 KMT2A (0.51) MEN1KMT2ACCR2ALDH1A1MAPK9
SCHEMBL2419389 0.86 KMT2A (0.50) MEN1KMT2ACCR2ALDH1A1MAPK9
SCHEMBL2425516 0.85 MEN1 (0.54) MEN1KMT2ACCR2ALDH1A1MAPK9

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