SCHEMBL29838928

SCHEMBL29838928

COC(=O)c1cc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)ccn1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.73
CNR1 P21554 8/20 0.73
PPARA Q07869 2/20 0.68

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
SCHEMBL29838932 0.91 CNR2 (0.76) CNR2CNR1PPARA
SCHEMBL29838953 0.88 CNR2 (0.80) CNR2CNR1PPARA
SCHEMBL29838869 0.85 CNR2 (0.68) CNR2CNR1PPARA
SCHEMBL29838962 0.85 CNR2 (0.67) CNR2CNR1PPARA
SCHEMBL29838948 0.85 CNR1 (0.79) CNR2CNR1PPARA
SCHEMBL29838977 0.85 CNR1 (0.77) CNR2CNR1PPARA
SCHEMBL29838957 0.85 CNR2 (0.66) CNR2CNR1PPARA
SCHEMBL29838884 0.84 CNR1 (0.66) CNR2CNR1PPARA
SCHEMBL29838941 0.84 CNR1 (0.70) CNR2CNR1PPARA
SCHEMBL29838985 0.83 CNR1 (0.69) CNR2CNR1PPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022164239-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVE COMPOUND AND USE THEREOF 주식회사 파미노젠 2022-08-04 WO disclosed