SCHEMBL28413245

SCHEMBL28413245

Oc1ccc2c(c1)-c1ccccc1C2O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.59
HTR2B P41595 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
PGR P06401 1/20 0.42
HTR7 P34969 2/20 0.41
HTR2A P28223 1/20 0.41
PDK2 Q15119 2/20 0.41

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
SCHEMBL5069724 0.88 DYRK1A (0.79) DYRK1AHTR2BALDH1A1CYP3A4HSD17B10
SCHEMBL10635317 0.85 CYP1A2 (0.53) DYRK1AHTR2BALDH1A1CYP3A4HSD17B10
SCHEMBL18385982 0.82 HTR2B (0.50) DYRK1AHTR2BALDH1A1CYP3A4HSD17B10
SCHEMBL29376368 0.82 MAOA (0.52) DYRK1AHTR2BALDH1A1CYP3A4HSD17B10
SCHEMBL216862 0.82 MAOA (0.52) DYRK1AHTR2BALDH1A1CYP3A4HSD17B10
SCHEMBL29884836 0.82 MAOA (0.52) DYRK1AHTR2BALDH1A1CYP3A4HSD17B10
SCHEMBL20082694 0.82 CYP1A2 (0.53) DYRK1AHTR2BALDH1A1CYP3A4HSD17B10
SCHEMBL28567757 0.80 DYRK1A (0.50) DYRK1AHTR2BALDH1A1CYP3A4MAPT
SCHEMBL27688305 0.79 MAOA (0.50) DYRK1AHTR2BALDH1A1CYP3A4HSD17B10
SCHEMBL8749800 0.78 PGR (0.48) HTR2BALDH1A1CYP3A4HSD17B10MAPT

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-111320978-A Quantum dots and applications thereof 东友精细化工有限公司 2020-06-23 CN disclosed