SCHEMBL3633153

SCHEMBL3633153

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 12/20 0.41
MAPK9 P45984 9/20 0.41
MAPK10 P53779 6/20 0.40
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
F2 P00734 1/20 0.36
CYP2C9 P11712 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 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
SCHEMBL12985542 0.90 MAPK8 (0.48) MAPK8MAPK9MAPK10
SCHEMBL3634925 0.87 MAPK8 (0.49) MAPK8MAPK9MAPK10ALDH1A1HSD17B10
SCHEMBL3634689 0.86 MAPK8 (0.42) MAPK8MAPK9MAPK10ALDH1A1MEN1
SCHEMBL3638919 0.86 MAPK8 (0.43) MAPK8MAPK9MAPK10ALDH1A1SMN1; SMN2
SCHEMBL3631272 0.86 MAPK8 (0.44) MAPK8MAPK9MAPK10ALDH1A1KDM4E
SCHEMBL3635595 0.83 MAPK8 (0.40) MAPK8MAPK9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3637497 0.83 MAPK8 (0.41) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL3945638 0.82 MAPK8 (0.39) MAPK8MAPK9MAPK10ALDH1A1MEN1
SCHEMBL3940003 0.82 MAPK8 (0.52) MAPK8MAPK9MAPK10MAPT
SCHEMBL3636491 0.81 TP53 (0.40) MAPK8MAPK9ALDH1A1SMN1; SMN2KDM4E

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