SCHEMBL28470901

SCHEMBL28470901

CC(C)(C)OC(=O)NCC(=CF)Cn1ncn(-c2ccc(Br)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 17/20 0.44
▸ PPARA Q07869 17/20 0.44
▸ PPARG P37231 12/20 0.44
▸ NPC1 O15118 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B3 P37058 1/20 0.35

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
SCHEMBL28470899 1.00 PPARD (0.44) PPARDPPARAPPARGNPC1RECQL
SCHEMBL29092331 1.00 PPARD (0.44) PPARDPPARAPPARGNPC1RECQL
SCHEMBL29092710 0.92 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL29092310 0.92 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL29092312 0.92 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL29092699 0.90 PPARD (0.36) PPARDPPARAPPARG
SCHEMBL29092700 0.90 PPARD (0.36) PPARDPPARAPPARG
SCHEMBL29981161 0.90 EGFR (0.38) PPARDPPARAPPARG
SCHEMBL29092703 0.90 PPARD (0.36) PPARDPPARAPPARG
SCHEMBL28476519 0.90 EGFR (0.38) PPARDPPARAPPARG

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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