SCHEMBL4652001

SCHEMBL4652001

O=C(NCc1ccc(Cl)cc1Cl)c1c[nH]c(=O)c(CC2CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.61
LMNA P02545 3/20 0.49
MAPK1 P28482 1/20 0.49
NLRP1 Q9C000 1/20 0.49
P2RX7 Q99572 7/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL13876076 0.77 EPHX2 (1.00) EPHX2LMNAMAPK1NLRP1ERCC1
SCHEMBL4190539 0.72 EPHX2 (0.63) EPHX2LMNAMAPK1NLRP1P2RX7
SCHEMBL4199381 0.72 P2RX7 (0.53) EPHX2LMNAMAPK1NLRP1P2RX7
SCHEMBL5646507 0.70 LMNA (0.70) EPHX2LMNAMAPK1NLRP1MAPT
SCHEMBL30802565 0.69 LMNA (0.72) EPHX2LMNAMAPK1NLRP1MAPT
SCHEMBL29336072 0.69 LMNA (0.72) EPHX2LMNAMAPK1NLRP1MAPT
SCHEMBL5645070 0.69 LMNA (0.64) EPHX2LMNAMAPK1NLRP1MAPT
SCHEMBL5643117 0.68 LMNA (0.71) EPHX2LMNAMAPK1NLRP1MAPT
SCHEMBL29335953 0.68 LMNA (0.71) EPHX2LMNAMAPK1NLRP1MAPT
SCHEMBL5642926 0.68 LMNA (0.75) EPHX2LMNAMAPK1NLRP1MAPT

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-1987004-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-11-05 EP disclosed
WO-2007098352-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 WO disclosed