SCHEMBL28515404

SCHEMBL28515404

CCN(CCO)c1ccc2c(c1)Oc1cc(Nc3ccccc3)c3ccc[c]c3c1N2

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL17847418 0.89 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL4934602 0.69 MAPT (0.35) ALDH1A1KDM4EMEN1GAAMAPT
Hydrochloric Acid SCHEMBL498441 0.68 MAPT (0.35) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL11298623 0.68 CDK2 (0.37) ALDH1A1KDM4EMEN1MAPTRECQL
SCHEMBL1347821 0.65 S100B (0.38) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL7209657 0.65 MAPT (0.35) ALDH1A1KDM4EMEN1GAAMAPT
Perchlorate SCHEMBL10363409 0.65 S100B (0.34) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL20497202 0.64 CYP1A2 (0.37) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL80727 0.63 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL29895860 0.63 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1GAAMAPT

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-107108818-B Particles for electrophoretic displays 默克专利股份有限公司 2021-01-01 CN disclosed