SCHEMBL28904641

SCHEMBL28904641

Cc1cccc(N(c2ccc(-c3ccc(C=O)s3)cc2)c2cccc(C)c2C)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.60
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 4/20 0.39
PRF1 P14222 1/20 0.38
PGR P06401 1/20 0.38
HSD17B1 P14061 3/20 0.37
HSD17B2 P37059 3/20 0.37
DPP4 P27487 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.33

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 0.81 APP (0.81) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL30862485 0.80 APP (0.70) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL29036191 0.80 APP (0.70) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL5399485 0.78 APP (0.94) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL30903823 0.78 APP (0.94) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL30903820 0.78 APP (0.94) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL30903822 0.78 APP (0.94) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL3367944 0.77 APP (0.76) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL7006689 0.77 APP (0.91) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL3364536 0.77 APP (0.51) APPCYP3A4CYP2A6CYP2C19MAPT

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-112174839-A Lipid drop specific labeled fluorescent probe and synthetic method and application thereof 四川大学华西医院 2021-01-05 CN disclosed