SCHEMBL4189474

SCHEMBL4189474

CCCCCCNC[C@H]1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCC(NCc3ccc(C(F)(F)F)cc3)C2)s1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RORC P51449 1/20 0.38
TGM2 P21980 2/20 0.37
SMYD3 Q9H7B4 2/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36
CCR2 P41597 1/20 0.35
NR1D1 P20393 1/20 0.35
NR1H3 Q13133 1/20 0.35
NR1D2 Q14995 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7147901 0.96 MAPK9 (0.41) MAPK9MAPK10MEN1KMT2ARORC
SCHEMBL3480484 0.89 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2ATGM2
SCHEMBL3480019 0.88 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3480021 0.88 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL4198093 0.88 MAPK9 (0.47) MAPK9MAPK10MEN1KMT2ARORC
SCHEMBL3479910 0.86 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2ARORC
SCHEMBL3479914 0.86 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2ARORC
SCHEMBL3479846 0.85 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2ATGM2
SCHEMBL3480010 0.85 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2ATGM2
SCHEMBL3480409 0.85 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2ATGM2

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