SCHEMBL4965488

SCHEMBL4965488

CCCc1cccc(OC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2)c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc4c3CCCC4)CC2)s1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RORC P51449 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
FFAR1 O14842 1/20 0.35
USP5 P45974 1/20 0.35
PKM P14618 1/20 0.34
ALOX5 P09917 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
SCHEMBL7437261 0.89 MEN1 (0.43) MEN1KMT2AALDH1A1GAASLC5A7
SCHEMBL2421323 0.88 KMT2A (0.50) MEN1KMT2AALDH1A1SLC5A7NPC1
SCHEMBL2425264 0.88 MEN1 (0.51) MEN1KMT2AALDH1A1GAASLC5A7
SCHEMBL2419255 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPK9
SCHEMBL6432002 0.85 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPK9
SCHEMBL6021869 0.83 MAPK1 (0.42) MEN1KMT2AALDH1A1GAANPC1
SCHEMBL2419313 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2422241 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL2425351 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2422778 0.80 MEN1 (0.51) MEN1KMT2AALDH1A1GAASMN1; SMN2

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