SCHEMBL28359115

SCHEMBL28359115

COC(=O)c1ccc2cc1-2.OBO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A2 P23975 1/20 0.54
KDM4E B2RXH2 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
GAA P10253 3/20 0.44
GLA P06280 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL12922054 0.79 KDM4E (0.55) SLC6A3SLC6A4SLC6A2KDM4ECYP1A2
SCHEMBL8180022 0.78 CYP46A1 (0.58) SLC6A3SLC6A4SLC6A2KDM4ECYP1A2
SCHEMBL8678283 0.78 KDM4E (0.59) SLC6A3SLC6A4SLC6A2KDM4ECYP1A2
SCHEMBL23354126 0.77 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2KDM4ECYP1A2
SCHEMBL19767755 0.77 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2KDM4ECYP1A2
SCHEMBL31676847 0.77 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2KDM4ECYP1A2
SCHEMBL6422582 0.75 CYP1A2 (0.44) KDM4ECYP1A2CA12CA1CA2
SCHEMBL6466451 0.75 CA12 (0.53) SLC6A3SLC6A4SLC6A2KDM4ECYP1A2
SCHEMBL29733451 0.75 CA12 (0.53) SLC6A3SLC6A4SLC6A2KDM4ECYP1A2
SCHEMBL5710703 0.74 ALDH1A1 (0.47) SLC6A3SLC6A4SLC6A2KDM4ECA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110343100-B Phenothiazine co-sensitizer and preparation method and application thereof 江苏理工学院 2020-10-30 CN claimed
CN-108795090-B X-type double-anchoring dye sensitizer and preparation method and application thereof 江苏理工学院 2020-02-14 CN claimed
CN-110343100-B Phenothiazine co-sensitizer and preparation method and application thereof 江苏理工学院 2020-10-30 CN disclosed