SCHEMBL29838943

SCHEMBL29838943

COC(=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3)c2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CNR1 P21554 8/20 0.53
PPARA Q07869 2/20 0.53
CNR2 P34972 4/20 0.51
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTGS2 P35354 2/20 0.48
PTPN1 P18031 1/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL29838966 0.91 POLB (0.59) POLBCNR1PPARACNR2MAPT
SCHEMBL29838971 0.91 POLB (0.59) POLBCNR1PPARACNR2MAPT
SCHEMBL29838969 0.86 CNR1 (0.47) POLBCNR1PPARACNR2ALDH1A1
SCHEMBL29838900 0.82 CNR1 (0.53) POLBCNR1PPARACNR2PTGS2
SCHEMBL29838948 0.82 CNR1 (0.79) CNR1PPARACNR2
SCHEMBL29838938 0.79 CA1 (0.50) POLBCNR1PPARACNR2ALDH1A1
SCHEMBL29838955 0.78 CYP1A2 (0.57) CNR1CNR2CYP2C9CYP2C19PTGS2
SCHEMBL29838942 0.76 ALDH1A1 (0.63) CNR1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL29838949 0.74 CNR1 (0.81) CNR1PPARACNR2
SCHEMBL29838947 0.74 CNR1 (0.81) CNR1PPARACNR2

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