SCHEMBL29898511

SCHEMBL29898511

O=Cc1ccc(N(c2ccc(-c3ccc(C=O)s3)cc2)c2ccc(-c3ccc(C=O)s3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.72
CYP2A6 P11509 2/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.42
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
PRF1 P14222 1/20 0.40
DPP4 P27487 1/20 0.40
CYP2A13 Q16696 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PGR P06401 1/20 0.37

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
SCHEMBL3630228 0.93 APP (0.81) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL30903822 0.87 APP (0.94) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL5399485 0.87 APP (0.94) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL30903823 0.87 APP (0.94) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL30903820 0.87 APP (0.94) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL7006689 0.85 APP (0.91) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL29036191 0.85 APP (0.70) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL30862485 0.85 APP (0.70) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL28035400 0.85 APP (0.79) APPCYP2A6CYP2E1CYP3A4CYP2C9
SCHEMBL14940220 0.84 APP (0.68) APPCYP2A6CYP2E1CYP3A4CYP2C9

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-111233824-B Organic spectrum conversion material, preparation method thereof and luminescent solar concentrator comprising organic spectrum conversion material 紫石能源有限公司 2022-09-09 CN disclosed