SCHEMBL3638919

SCHEMBL3638919

COC(=O)c1[nH]c2c(-c3ccccc3)c(Cl)ccc2c(=O)c1Cc1ccc(S(=O)(=O)NCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 12/20 0.43
MAPK9 P45984 9/20 0.43
MAPK10 P53779 7/20 0.39
MCL1 Q07820 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2B P29275 1/20 0.35
MAPT P10636 1/20 0.35
PHGDH O43175 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
SCHEMBL3637497 0.89 MAPK8 (0.41) MAPK8MAPK9MAPK10MCL1ALDH1A1
SCHEMBL3634925 0.88 MAPK8 (0.49) MAPK8MAPK9MAPK10MCL1ALDH1A1
SCHEMBL12985542 0.88 MAPK8 (0.48) MAPK8MAPK9MAPK10
SCHEMBL3633153 0.86 MAPK8 (0.41) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL3634381 0.85 MAPK8 (0.53) MAPK8MAPK9MAPK10SMN1; SMN2MEN1
SCHEMBL3634689 0.84 MAPK8 (0.42) MAPK8MAPK9MAPK10ALDH1A1MEN1
SCHEMBL3631272 0.83 MAPK8 (0.44) MAPK8MAPK9MAPK10MCL1KDM4E
SCHEMBL3945638 0.83 MAPK8 (0.39) MAPK8MAPK9MAPK10ALDH1A1MEN1
SCHEMBL3635595 0.81 MAPK8 (0.40) MAPK8MAPK9KDM4EALDH1A1CYP2C9
SCHEMBL3940003 0.80 MAPK8 (0.52) MAPK8MAPK9MAPK10MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed