SCHEMBL4969068

SCHEMBL4969068

CCCCC(CC)CNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.CCCOCCNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.36
RECQL P46063 1/20 0.36
DDR1 Q08345 2/20 0.35
NAMPT P43490 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TGM2 P21980 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
GAA P10253 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
SCHEMBL3479765 0.93 MAPK9 (0.51) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479853 0.91 MAPK9 (0.52) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL4197945 0.91 MEN1 (0.40) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479817 0.91 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479923 0.88 MAPK9 (0.55) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479811 0.87 MAPK9 (0.51) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3480655 0.85 MAPK9 (0.55) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479805 0.85 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479841 0.84 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479829 0.84 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AALDH1A1

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