SCHEMBL29829962

SCHEMBL29829962

Cc1ccc(-c2nc3c(C)cccc3n2CCCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.45
▸ CASR P41180 3/20 0.45
▸ NPY1R P25929 2/20 0.44
▸ TP53 P04637 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ S1PR2 O95136 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL29829648 0.94 CASR (0.47) TLR8CASRTP53PPARGALDH1A1
SCHEMBL29829733 0.94 TLR8 (0.48) TLR8CASRNPY1RTP53ALDH1A1
SCHEMBL29829509 0.89 TLR8 (0.44) TLR8CASRNPY1RALDH1A1MEN1
SCHEMBL29830059 0.87 CASR (0.51) TLR8CASRTP53PPARGALDH1A1
SCHEMBL29829518 0.86 CASR (0.60) TLR8CASRTP53ALDH1A1HPGD
SCHEMBL29829841 0.85 ALDH1A1 (0.47) CASRNPY1RTDP1L3MBTL1ALDH1A1
SCHEMBL29830051 0.84 TP53 (0.60) TP53PPARGL3MBTL1ALDH1A1MEN1
SCHEMBL29829708 0.82 MEN1 (0.49) TLR8CASRALDH1A1MEN1KMT2A
SCHEMBL29829591 0.79 CASR (0.60) TLR8CASRTP53ALDH1A1MEN1
SCHEMBL29829358 0.77 ALDH1A1 (0.63) TP53PPARGL3MBTL1ALDH1A1HPGD

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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