SCHEMBL4196453

SCHEMBL4196453

CCCc1ccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc([N+](=O)[O-])c4)s3)CC2)cc1.CCCc1ccccc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)s2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc4c(c3)CCC4)CC2)s1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
LMNA P02545 3/20 0.37
USP2 O75604 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 5/20 0.35
CCR2 P41597 1/20 0.35
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
G6PD P11413 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2422778 0.89 MEN1 (0.51) MEN1KMT2AABCG2LMNAMAPK1
SCHEMBL2425351 0.88 MEN1 (0.49) MEN1KMT2AABCG2LMNAMAPT
SCHEMBL2423145 0.88 MEN1 (0.46) MEN1KMT2ALMNAUSP2MAPT
SCHEMBL2419313 0.84 MEN1 (0.49) MEN1KMT2AABCG2LMNAMAPT
SCHEMBL4968428 0.84 MEN1 (0.44) MEN1KMT2AABCG2LMNAMAPT
SCHEMBL4190631 0.83 KMT2A (0.49) MEN1KMT2ALMNAUSP2MAPT
SCHEMBL6432002 0.83 MEN1 (0.43) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL2419255 0.82 MEN1 (0.46) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL2420616 0.82 KMT2A (0.53) MEN1KMT2AABCG2LMNAMAPT
SCHEMBL7439566 0.81 MAPK9 (0.48) MEN1KMT2ALMNAUSP2MAPT

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