SCHEMBL3634026

SCHEMBL3634026

COC(=O)c1cccc(Cc2c(C(=O)OC)[nH]c3c(-c4ccccc4)c(Cl)ccc3c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK9 P45984 1/20 0.41
DHFR P00374 1/20 0.40
MCL1 Q07820 2/20 0.40
DHODH Q02127 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
POLB P06746 1/20 0.39
TGM2 P21980 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PARP1 P09874 1/20 0.38
SLC7A5 Q01650 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
SCHEMBL3634689 0.90 MAPK8 (0.42) MAPK8MEN1KMT2AMAPK9
SCHEMBL3637957 0.90 MAPK8 (0.45) MAPK8MAPK9
SCHEMBL3631272 0.88 MAPK8 (0.44) MAPK8MEN1KMT2AMAPK9MCL1
SCHEMBL3636491 0.87 TP53 (0.40) MAPK8MAPK9POLB
SCHEMBL3940003 0.84 MAPK8 (0.52) MAPK8MAPK9
SCHEMBL12985542 0.83 MAPK8 (0.48) MAPK8MAPK9
SCHEMBL3635595 0.83 MAPK8 (0.40) MAPK8MEN1KMT2AMAPK9
SCHEMBL14604052 0.83 MAP2 (0.40) MAPK8MEN1KMT2AMAPK9
SCHEMBL14604161 0.83 MAPK8 (0.39) MAPK8MEN1KMT2AMAPK9
SCHEMBL14604008 0.83 MAPK8 (0.48) MAPK8MCL1

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