SCHEMBL3635595

SCHEMBL3635595

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.40
MAPK9 P45984 1/20 0.40
NR3C1 P04150 1/20 0.39
NHERF1 O14745 1/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
PTPN1 P18031 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL3634689 0.89 MAPK8 (0.42) MAPK8MAPK9MEN1LMNAKMT2A
SCHEMBL3631272 0.88 MAPK8 (0.44) MAPK8MAPK9MEN1LMNAKMT2A
SCHEMBL12985542 0.85 MAPK8 (0.48) MAPK8MAPK9
SCHEMBL3634925 0.84 MAPK8 (0.49) MAPK8MAPK9ALDH1A1USP2TSHR
SCHEMBL3940003 0.84 MAPK8 (0.52) MAPK8MAPK9MAPTRAB9ALMNA
SCHEMBL3945638 0.84 MAPK8 (0.39) MAPK8MAPK9MEN1KMT2AALDH1A1
SCHEMBL3636491 0.84 TP53 (0.40) MAPK8MAPK9MAPTSMN1; SMN2ALDH1A1
SCHEMBL3634026 0.83 MAPK8 (0.44) MAPK8MAPK9MEN1KMT2A
SCHEMBL3633153 0.83 MAPK8 (0.41) MAPK8MAPK9MAPTSMN1; SMN2MEN1
SCHEMBL3637957 0.83 MAPK8 (0.45) MAPK8MAPK9KDM4E

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