SCHEMBL29829591

SCHEMBL29829591

COc1cccc2c1nc(-c1ccccc1)n2CCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 4/20 0.60
▸ TLR8 Q9NR97 1/20 0.50
▸ HPGD P15428 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TP53 P04637 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ S1PR2 O95136 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDE6D O43924 1/20 0.40

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
SCHEMBL29829518 0.94 CASR (0.60) CASRTLR8HPGDALDH1A1KDM4E
SCHEMBL29829974 0.93 CASR (0.53) CASRTLR8HPGDALDH1A1KDM4E
SCHEMBL29829544 0.87 CASR (0.49) CASRTLR8HPGDALDH1A1KDM4E
SCHEMBL29829733 0.85 TLR8 (0.48) CASRTLR8HPGDALDH1A1SMN1; SMN2
SCHEMBL29829696 0.84 TLR8 (0.51) CASRTLR8SIGMAR1MAPTMEN1
SCHEMBL29829962 0.79 TLR8 (0.45) CASRTLR8HPGDALDH1A1KDM4E
SCHEMBL29829509 0.78 TLR8 (0.44) CASRTLR8HPGDALDH1A1SMN1; SMN2
SCHEMBL29830059 0.78 CASR (0.51) CASRTLR8HPGDALDH1A1KDM4E
SCHEMBL28480003 0.75 BRD4 (0.57) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL29829648 0.72 CASR (0.47) CASRTLR8HPGDALDH1A1KDM4E

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-111978301-B Benzimidazole compound with endothelial lipase inhibition effect and application thereof 盐城师范学院 2022-08-02 — — CN disclosed
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