SCHEMBL29838938

SCHEMBL29838938

Cc1c(C(=O)Nc2ccc(C(=O)O)cc2)nn(-c2ccc(Cl)cc2)c1-c1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
POLB P06746 3/20 0.49
CNR1 P21554 8/20 0.48
PPARA Q07869 2/20 0.48
CNR2 P34972 5/20 0.48
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RIPK1 Q13546 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL29838969 0.91 CNR1 (0.47) CA1CA2POLBCNR1PPARA
SCHEMBL29838971 0.87 POLB (0.59) POLBCNR1PPARACNR2TP53
SCHEMBL29838966 0.87 POLB (0.59) POLBCNR1PPARACNR2TP53
SCHEMBL29838887 0.86 CNR1 (0.45) CA1CA2POLBCNR1PPARA
SCHEMBL29838940 0.86 PIN1 (0.47) CA1CA2POLBCNR1CNR2
SCHEMBL29838943 0.79 POLB (0.56) POLBCNR1PPARACNR2ALDH1A1
SCHEMBL29838929 0.78 KDM4E (0.50) CA1CA2POLBALDH1A1NPSR1
SCHEMBL29838947 0.75 CNR1 (0.81) CNR1PPARACNR2
SCHEMBL29838949 0.75 CNR1 (0.81) CNR1PPARACNR2
SCHEMBL277080 0.74 CNR1 (0.54) POLBCNR1CNR2KDM4EGAA

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