SCHEMBL29838971

SCHEMBL29838971

Cc1c(C(=O)Nc2ccc(C(=O)O)cc2)nn(-c2ccc(Cl)cc2)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
CNR1 P21554 8/20 0.56
PPARA Q07869 2/20 0.56
TP53 P04637 2/20 0.54
CNR2 P34972 5/20 0.53
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGS2 P35354 1/20 0.50

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 1.00 POLB (0.59) POLBCNR1PPARATP53CNR2
SCHEMBL29838943 0.91 POLB (0.56) POLBCNR1PPARACNR2MAPT
SCHEMBL29838938 0.87 CA1 (0.50) POLBCNR1PPARATP53CNR2
SCHEMBL29838900 0.85 CNR1 (0.53) POLBCNR1PPARACNR2PTGS2
SCHEMBL29838955 0.83 CYP1A2 (0.57) CNR1CNR2PTGS2
SCHEMBL29838949 0.82 CNR1 (0.81) CNR1PPARACNR2
SCHEMBL29838947 0.82 CNR1 (0.81) CNR1PPARACNR2
SCHEMBL276640 0.78 CNR1 (0.88) CNR1CNR2MAPT
SCHEMBL29838969 0.78 CNR1 (0.47) POLBCNR1PPARATP53CNR2
SCHEMBL16197705 0.78 CNR1 (0.57) CNR1CNR2PTGS2

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