SCHEMBL4192955

SCHEMBL4192955

CCCCCCN(CCCC)C1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.CCCCCCN(CCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.CCCCCCN(CCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 5/20 0.39
DRD3 P35462 5/20 0.39
DRD4 P21917 3/20 0.39
ALDH1A1 P00352 3/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TGM2 P21980 1/20 0.37
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
SCHEMBL4967650 0.99 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2ADRD2
SCHEMBL3479821 0.98 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2ADRD2
SCHEMBL3480051 0.98 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2ADRD2
SCHEMBL3480006 0.92 MAPK9 (0.55) MAPK9MAPK10MEN1KMT2ADRD2
SCHEMBL3479709 0.91 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2ADRD2
SCHEMBL3480040 0.88 MAPK9 (0.52) MAPK9MAPK10MEN1KMT2ADRD2
SCHEMBL4969266 0.86 MAPK9 (0.49) MAPK9MAPK10MEN1KMT2ADRD2
SCHEMBL3479946 0.85 MAPK9 (0.51) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3480185 0.84 MAPK9 (0.51) MAPK9MAPK10MEN1KMT2ADRD2
SCHEMBL3480069 0.84 MAPK9 (0.55) 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-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed