SCHEMBL28111035

SCHEMBL28111035

Cc1c(O)ccc(CN(C)C)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPT P10636 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
THRB P10828 1/20 0.58
G6PD P11413 1/20 0.58
PABPC1 P11940 1/20 0.58
HKDC1 Q2TB90 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HSD17B10 Q99714 4/20 0.42
ALOX15 P16050 2/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
TYR P14679 1/20 0.39

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
SCHEMBL11408846 0.85 ALDH1A1 (0.56) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL11285229 0.83 KDM4E (0.54) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL8045012 0.81 HTR2A (0.50) KDM4EALDH1A1MAPTTDP1GAA
Bromide SCHEMBL9175508 0.79 HTR2A (0.49) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL4799183 0.77 HTR1D (0.46) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL4063406 0.77 TYR (0.44) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL3468895 0.75 TYR (0.42) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL30597484 0.75 TYR (0.47) TYR
SCHEMBL4888228 0.75 TYR (0.47) TYR
SCHEMBL4467416 0.75 ALDH1A1 (0.90) KDM4EALDH1A1MAPTTDP1GAA

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-105273108-B Benzophenone type hydrogen self-supplying photoinitiator and preparation method and application thereof 中山大学 2017-02-22 CN claimed