SCHEMBL4969656

SCHEMBL4969656

O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc4c(c3)CS(=O)(=O)C4)CC2)s1)c1cccc([N+](=O)[O-])c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)s1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
G6PD P11413 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
CCR2 P41597 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2425242 0.92 MEN1 (0.45) MEN1KMT2ACYP1A2CYP3A4MAPK9
SCHEMBL2420394 0.91 CYP1A2 (0.46) MEN1KMT2ACYP1A2CYP3A4MAPK9
SCHEMBL3479856 0.86 MEN1 (0.45) MEN1KMT2ACYP1A2CYP3A4MAPK9
SCHEMBL4969547 0.86 MEN1 (0.40) MEN1KMT2AMAPK9MAPK10ALDH1A1
SCHEMBL2426717 0.84 CYP1A2 (0.45) MEN1KMT2ACYP1A2CYP3A4MAPK9
SCHEMBL4197520 0.84 MEN1 (0.38) MEN1KMT2ACYP1A2CYP3A4MAPK9
SCHEMBL2423715 0.84 MEN1 (0.47) MEN1KMT2AMAPK9MAPK10ALDH1A1
SCHEMBL6431835 0.83 MEN1 (0.55) MEN1KMT2AMAPK9MAPK10ALDH1A1
SCHEMBL2423145 0.83 MEN1 (0.46) MEN1KMT2ACYP1A2CYP3A4MAPK9
SCHEMBL2428331 0.83 KMT2A (0.51) MEN1KMT2ACYP1A2CYP3A4MAPK9

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