SCHEMBL30203145

SCHEMBL30203145

O=c1n(-c2ccc(Br)cc2)cnn1CO

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.51
PPARA Q07869 14/20 0.51
PPARG P37231 11/20 0.51
HSD17B3 P37058 1/20 0.47
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ROCK2 O75116 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13499289 0.87 PPARD (0.46) PPARDPPARAPPARGHSD17B3ALDH1A1
SCHEMBL16196902 0.83 PPARD (0.48) PPARDPPARAPPARGHSD17B3ALDH1A1
SCHEMBL30203042 0.83 ALDH1A1 (0.65) PPARDPPARAPPARGHSD17B3ALDH1A1
SCHEMBL5717743 0.81 PPARD (0.47) PPARDPPARAPPARGHSD17B3ALDH1A1
SCHEMBL16196818 0.80 PPARD (0.48) PPARDPPARAPPARGHSD17B3ROCK2
SCHEMBL28479387 0.78 PPARD (0.43) PPARDPPARAPPARGHSD17B3ROCK2
SCHEMBL16196788 0.77 PPARD (0.47) PPARDPPARAPPARGHSD17B3ALDH1A1
SCHEMBL20639871 0.76 MAPT (0.49) PPARDPPARAPPARGHSD17B3ALDH1A1
SCHEMBL30203112 0.76 PPARD (0.36) PPARDPPARAPPARGHSD17B3ALDH1A1
SCHEMBL21382200 0.76 PPARD (0.41) PPARDPPARAPPARGHSD17B3ROCK2

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-2023024425-A1 TRIAZOLONE COMPOUND AND MEDICINAL USE THEREOF 中国药科大学 2023-03-02 WO disclosed