SCHEMBL4969266

SCHEMBL4969266

CCCCCCN(CC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.CCCCCCN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
CXCR3 P49682 3/20 0.37
POLB P06746 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL3479709 0.94 MAPK9 (0.54) MAPK9MAPK10KMT2AMEN1OPRM1
SCHEMBL3480137 0.94 MAPK9 (0.51) MAPK9MAPK10KMT2AMEN1DRD2
SCHEMBL3480051 0.88 MAPK9 (0.54) MAPK9MAPK10KMT2AMEN1DRD2
SCHEMBL3479821 0.88 MAPK9 (0.54) MAPK9MAPK10KMT2AMEN1DRD2
SCHEMBL4967650 0.87 MAPK9 (0.53) MAPK9MAPK10KMT2AMEN1DRD2
SCHEMBL3480185 0.87 MAPK9 (0.51) MAPK9MAPK10KMT2AMEN1DRD2
SCHEMBL3479946 0.86 MAPK9 (0.51) MAPK9MAPK10KMT2AMEN1POLB
SCHEMBL3480006 0.86 MAPK9 (0.55) MAPK9MAPK10KMT2AMEN1DRD2
SCHEMBL4192955 0.86 MAPK9 (0.52) MAPK9MAPK10KMT2AMEN1DRD2
SCHEMBL3480040 0.85 MAPK9 (0.52) MAPK9MAPK10KMT2AMEN1DRD2

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