SCHEMBL28806243

SCHEMBL28806243

CC(c1ccc2ccccc2c1)c1nc(C(C)c2ccc3ccccc3c2)nc(C(C)c2ccc3ccccc3c2)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.61
ADRA2A P08913 3/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
ATM Q13315 1/20 0.47
MMP9 P14780 1/20 0.45
AOC3 Q16853 1/20 0.43
CYP2A6 P11509 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL27726697 0.89 UGT2B7 (0.50) UGT2B7ADRA2AADRA2BADRA2CMEN1
SCHEMBL28567977 0.85 ADRA2A (0.51) UGT2B7ADRA2AADRA2BADRA2CMEN1
SCHEMBL3001927 0.83 UGT2B7 (0.61) UGT2B7ADRA2AADRA2BADRA2CCYP2D6
SCHEMBL918554 0.82 UGT2B7 (0.59) UGT2B7ADRA2AADRA2BADRA2CMEN1
SCHEMBL30928206 0.81 UGT2B7 (0.71) UGT2B7ADRA2AADRA2BADRA2CMEN1
SCHEMBL599956 0.81 UGT2B7 (0.71) UGT2B7ADRA2AADRA2BADRA2CMEN1
SCHEMBL29555341 0.81 UGT2B7 (0.71) UGT2B7ADRA2AADRA2BADRA2CMEN1
SCHEMBL9179436 0.81 UGT2B7 (0.71) UGT2B7ADRA2AADRA2BADRA2CMEN1
Naphthalene SCHEMBL9636781 0.81 UGT2B7 (0.71) UGT2B7ADRA2AADRA2BADRA2CMEN1
Naphthalene SCHEMBL29078859 0.81 UGT2B7 (0.71) UGT2B7ADRA2AADRA2BADRA2CMEN1

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-103159689-A Blue light conversion agent s-triazine derivatives for agricultural film and their preparation method and use method UNIV TANGSHAN NORMAL 2013-06-19 CN disclosed