SCHEMBL4802735

SCHEMBL4802735

S=Cc1ccc(-c2nc(OCc3ccc(Cl)c(Cl)c3)ncc2-c2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.41
CNR2 P34972 3/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL4811912 0.94 CNR1 (0.44) CNR1CNR2MEN1KMT2A
SCHEMBL4806722 0.90 CNR1 (0.52) CNR1CNR2
SCHEMBL4806460 0.88 CNR1 (0.50) CNR1CNR2
SCHEMBL4812927 0.87 CNR1 (0.44) CNR1CNR2
SCHEMBL4802741 0.85 CNR1 (0.43) CNR1CNR2MEN1KMT2A
SCHEMBL4811618 0.85 ALDH1A1 (0.39) CNR1CNR2
SCHEMBL14153207 0.85 CNR1 (0.43) CNR1CNR2MEN1KMT2A
SCHEMBL4807899 0.82 CNR1 (0.47) CNR1CNR2
SCHEMBL4801236 0.82 CNR1 (0.43) CNR1CNR2MEN1KMT2A
SCHEMBL4806021 0.81 CNR1 (0.54) CNR1CNR2

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
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
EP-1546115-A2 SUBSTITUTED PYRIMIDINES Merck & Co., Inc. (US) 2005-06-29 EP disclosed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 WO disclosed