SCHEMBL28567977

SCHEMBL28567977

CC(c1ccc2ccccc2c1)c1ncncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
UGT2B7 P16662 1/20 0.50
MMP9 P14780 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
ATM Q13315 1/20 0.40
CYP3A4 P08684 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
AOC3 Q16853 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP26A1 O43174 1/20 0.37

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
SCHEMBL28806243 0.85 UGT2B7 (0.61) ADRA2AADRA2BADRA2CUGT2B7MMP9
SCHEMBL27726697 0.76 UGT2B7 (0.50) ADRA2AADRA2BADRA2CUGT2B7MMP9
SCHEMBL3001927 0.74 UGT2B7 (0.61) ADRA2AADRA2BADRA2CUGT2B7CYP2D6
SCHEMBL918554 0.73 UGT2B7 (0.59) ADRA2AADRA2BADRA2CUGT2B7MMP9
SCHEMBL599956 0.72 UGT2B7 (0.71) ADRA2AADRA2BADRA2CUGT2B7MMP9
SCHEMBL30928206 0.72 UGT2B7 (0.71) ADRA2AADRA2BADRA2CUGT2B7MMP9
Naphthalene SCHEMBL29078859 0.72 UGT2B7 (0.71) ADRA2AADRA2BADRA2CUGT2B7MMP9
SCHEMBL29555341 0.72 UGT2B7 (0.71) ADRA2AADRA2BADRA2CUGT2B7MMP9
Naphthalene SCHEMBL9636781 0.72 UGT2B7 (0.71) ADRA2AADRA2BADRA2CUGT2B7MMP9
SCHEMBL9179436 0.72 UGT2B7 (0.71) ADRA2AADRA2BADRA2CUGT2B7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107936279-B Agricultural light conversion composite plastic film and preparation method thereof 山东隆昌塑业有限公司 2021-06-04 CN claimed
CN-107936279-B Agricultural light conversion composite plastic film and preparation method thereof 山东隆昌塑业有限公司 2021-06-04 CN disclosed