SCHEMBL29838969

SCHEMBL29838969

COC(=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(-c3cccc(C#N)c3)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.47
PPARA Q07869 2/20 0.47
CNR2 P34972 4/20 0.47
POLB P06746 2/20 0.45
PLAU P00749 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RIPK1 Q13546 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL29838938 0.91 CA1 (0.50) CNR1PPARACNR2POLBCA1
SCHEMBL29838943 0.86 POLB (0.56) CNR1PPARACNR2POLBALDH1A1
SCHEMBL29838887 0.85 CNR1 (0.45) CNR1PPARACNR2POLBCA1
SCHEMBL29838940 0.81 PIN1 (0.47) CNR1CNR2POLBCA1CA2
SCHEMBL29838929 0.80 KDM4E (0.50) POLBCA1CA2ALDH1A1NPSR1
SCHEMBL29838966 0.78 POLB (0.59) CNR1PPARACNR2POLBTP53
SCHEMBL29838971 0.78 POLB (0.59) CNR1PPARACNR2POLBTP53
SCHEMBL29838948 0.76 CNR1 (0.79) CNR1PPARACNR2
SCHEMBL29838900 0.71 CNR1 (0.53) CNR1PPARACNR2POLB
SCHEMBL182215 0.70 SIRT5 (0.43) PPARAPLAUALDH1A1NPSR1TP53

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