SCHEMBL4196889

SCHEMBL4196889

CCCCCCCCCCCCNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.CCCCCCCCNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.CCCCCCCNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.CCCCCNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.CCCCNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 3/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TGM2 P21980 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.38
CXCR4 P61073 1/20 0.38
GAA P10253 2/20 0.38
USP5 P45974 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3479958 0.99 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479829 0.99 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL4970549 0.99 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479841 0.99 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3480179 0.99 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479805 0.98 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3480655 0.98 MAPK9 (0.55) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479962 0.96 MAPK9 (0.57) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479954 0.96 MAPK9 (0.57) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479861 0.96 MAPK9 (0.57) 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