SCHEMBL4969141

SCHEMBL4969141

O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(Cl)cc3)CC2)s1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)s1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.40
BCL2 P10415 2/20 0.39
BCL2L1 Q07817 2/20 0.39
PHGDH O43175 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.38
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
USP5 P45974 1/20 0.36

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
SCHEMBL2423150 0.94 MAPK9 (0.58) MAPK9MAPK10MEN1KMT2AMAPK1
SCHEMBL2425799 0.93 KMT2A (0.52) MAPK9MAPK10MEN1KMT2ATDP1
SCHEMBL2421313 0.93 MAPK9 (0.55) MAPK9MAPK10MEN1KMT2ATDP1
SCHEMBL4190246 0.91 MAPK9 (0.49) MAPK9MAPK10MEN1KMT2AMAPK1
SCHEMBL2426626 0.88 MEN1 (0.56) MAPK9MAPK10MEN1KMT2ATDP1
SCHEMBL1518918 0.85 MAPK9 (0.62) MAPK9MAPK10MEN1KMT2ATDP1
SCHEMBL2421220 0.85 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AMAPT
SCHEMBL2425463 0.85 MEN1 (0.50) MAPK9MAPK10MEN1KMT2AMAPK1
SCHEMBL2423026 0.85 MAPK9 (0.51) MAPK9MAPK10MEN1KMT2AL3MBTL1
SCHEMBL2420301 0.85 MAPK9 (0.51) MAPK9MAPK10MEN1KMT2ATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976835-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2008-10-08 EP claimed
WO-2007084390-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-07-26 WO claimed
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