SCHEMBL3635425

SCHEMBL3635425

COC(=O)c1[nH]c2c(-c3ccccc3)c(OC)ccc2c(=O)c1Cc1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
EDNRB P24530 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.40
EDNRA P25101 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL3630797 0.83 EDNRB (0.41) HPGDALDH1A1EDNRBKMT2AMEN1
SCHEMBL3938675 0.82 HSD17B10 (0.47) HPGDALDH1A1MAPK1EDNRBKMT2A
SCHEMBL3636491 0.81 TP53 (0.40) HPGDALDH1A1MAPK1USP2HSD17B10
SCHEMBL3636997 0.77 ALDH1A1 (0.51) HPGDALDH1A1MAPK1KMT2AMEN1
SCHEMBL3637957 0.74 MAPK8 (0.45) KDM4E
SCHEMBL14604587 0.74 LMNA (0.44) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL3634026 0.73 MAPK8 (0.44) KMT2AMEN1
SCHEMBL3634689 0.73 MAPK8 (0.42) ALDH1A1KMT2AMEN1USP2HSD17B10
SCHEMBL3631272 0.72 MAPK8 (0.44) ALDH1A1KMT2AMEN1USP2HSD17B10
SCHEMBL14604214 0.72 MAPK8 (0.51) ALDH1A1KMT2AMEN1HSD17B10

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