SCHEMBL29838955

SCHEMBL29838955

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
HIF1A Q16665 1/20 0.57
CNR1 P21554 3/20 0.57
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
PTGS2 P35354 1/20 0.54
CNR2 P34972 2/20 0.53
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MALT1 Q9UDY8 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL16197705 0.94 CNR1 (0.57) CYP1A2HIF1ACNR1PTGS2CNR2
SCHEMBL277784 0.94 CNR1 (0.62) CYP1A2HIF1ACNR1CA1CA2
Hydrochloric Acid SCHEMBL278149 0.93 CNR1 (0.61) CYP1A2HIF1ACNR1CA1CA2
SCHEMBL2915869 0.90 CYP2C9 (0.63) CYP1A2CNR1CA1CA2CNR2
SCHEMBL25197049 0.85 MDM2 (0.62) CYP1A2HIF1ACNR1CA1CA2
SCHEMBL277080 0.85 CNR1 (0.54) CYP1A2HIF1ACNR1PTGS2CNR2
SCHEMBL29838942 0.85 ALDH1A1 (0.63) CNR1CA1CA2CYP2C9CYP2C19
SCHEMBL4885515 0.84 RPA1 (0.57) CNR1PTGS2CNR2
SCHEMBL6341478 0.84 PTGS2 (0.79) CNR1CA1CA2PTGS2
SCHEMBL29838940 0.84 PIN1 (0.47) CYP1A2HIF1ACNR1CA1CA2

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