SCHEMBL28084378

SCHEMBL28084378

Brc1cc2ccc3sccc3c2s1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CYP2A6 P11509 2/20 0.34
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL12194762 0.79
SCHEMBL22504308 0.78 MAPT (0.46) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL20295202 0.78 CYP2A6 (0.31) CYP2A6
SCHEMBL2367724 0.78
SCHEMBL24863656 0.76 CYP2A6 (0.30) CYP2A6
SCHEMBL29997130 0.76 CYP2A6 (0.30) CYP2A6
SCHEMBL24863693 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL30250636 0.75 CYP2A6 (0.31) CYP2A6
SCHEMBL14780084 0.75 CYP2A6 (0.31) CYP2A6
SCHEMBL3057290 0.74 MAPT (0.36) MAPTKDM4EALDH1A1GAAHTT

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-105906788-A Polymer of phenazine structure and preparation method and application thereof 南京邮电大学 2016-08-31 CN disclosed