SCHEMBL29092887

SCHEMBL29092887

Cc1ccc(Br)nc1-n1cnn(CC(=CF)CNC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.34
▸ PPARD Q03181 6/20 0.34
▸ PPARA Q07869 6/20 0.34
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PCSK9 Q8NBP7 1/20 0.31
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL29092886 1.00 PPARG (0.34) PPARGPPARDPPARAMAPTHPGD
SCHEMBL21382371 0.89 PPARG (0.33) PPARGPPARDPPARA
SCHEMBL21382373 0.89 PPARG (0.33) PPARGPPARDPPARA
SCHEMBL22091388 0.86 PPARG (0.33) PPARGPPARDPPARAMAPTHPGD
SCHEMBL29092372 0.86 EPHX2 (0.33) PPARGPPARDPPARAPCSK9
SCHEMBL29092371 0.86 EPHX2 (0.33) PPARGPPARDPPARAPCSK9
SCHEMBL29981698 0.84 AAK1 (0.37) PPARGPPARDPPARAMAPTHPGD
SCHEMBL29981387 0.84 AAK1 (0.37) PPARGPPARDPPARAMAPTHPGD
SCHEMBL28470899 0.84 PPARD (0.44) PPARGPPARDPPARARAB9A
SCHEMBL29092331 0.84 PPARD (0.44) PPARGPPARDPPARARAB9A

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
CN-111886227-B Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2023-10-13 — — CN disclosed
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