SCHEMBL3634381

SCHEMBL3634381

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 11/20 0.53
MAPK9 P45984 6/20 0.53
MAPK10 P53779 5/20 0.53
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
AR P10275 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL3940003 0.91 MAPK8 (0.52) MAPK8MAPK9MAPK10LMNAMAPT
SCHEMBL3634689 0.89 MAPK8 (0.42) MAPK8MAPK9MAPK10LMNAAR
SCHEMBL3631272 0.89 MAPK8 (0.44) MAPK8MAPK9MAPK10LMNAMEN1
SCHEMBL3638919 0.85 MAPK8 (0.43) MAPK8MAPK9MAPK10MAPTSMN1; SMN2
SCHEMBL3938366 0.85 MAPK8 (0.52) MAPK8MAPK9MAPK10HPGDSMN1; SMN2
SCHEMBL3945638 0.84 MAPK8 (0.39) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL3939176 0.84 IKBKB (0.40) MAPK8MAPK9MAPK10
SCHEMBL14604210 0.84 MAPK8 (0.51) MAPK8
SCHEMBL14604229 0.84 MAPK8 (0.49) MAPK8
SCHEMBL14604008 0.84 MAPK8 (0.48) MAPK8

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