SCHEMBL28481585

SCHEMBL28481585

Cc1cc(-n2cnn(CC(=CF)CNC(=O)OC(C)(C)C)c2=O)ncc1Br

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 4/20 0.33
▸ PPARA Q07869 4/20 0.33
▸ PPARG P37231 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.31
▸ AAK1 Q2M2I8 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
SCHEMBL28481584 1.00 PPARD (0.33) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL29981349 1.00 PPARD (0.33) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL29092256 1.00 PPARD (0.33) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL29981902 1.00 PPARD (0.33) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL21382331 0.88 PPARD (0.33) PPARDPPARAPPARG
SCHEMBL21384817 0.88 PPARD (0.33) PPARDPPARAPPARG
SCHEMBL21382334 0.88 PPARD (0.33) PPARDPPARAPPARG
SCHEMBL29981877 0.87 — —
SCHEMBL29092715 0.87 — —
SCHEMBL29092716 0.87 — —

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 2 patents. 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
CN-111886227-A Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2020-11-03 — — CN disclosed
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