SCHEMBL27907152

SCHEMBL27907152

CC(c1nc(C(C)c2cccc3ccccc23)nc(C(C)c2cccc3ccccc23)n1)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.57
ADRA2B P18089 5/20 0.57
ADRA2C P18825 5/20 0.57
ADRA1A P35348 3/20 0.57
ADRA1D P25100 2/20 0.57
ADRA1B P35368 2/20 0.57
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CYP2A6 P11509 1/20 0.43
SLC6A4 P31645 1/20 0.42
LTC4S Q16873 1/20 0.42

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
SCHEMBL28225360 0.92 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL2998678 0.89 ALDH1A1 (0.60) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL27907151 0.85 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL2992858 0.81 SLC6A4 (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL28931321 0.81 SLC6A4 (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL66681 0.79 ALDH1A1 (0.60) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9565192 0.77 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9862021 0.77 ALDH1A1 (0.58) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9614515 0.77 ALDH1A1 (0.58) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11437166 0.77 ALDH1A1 (0.58) ADRA2AADRA2BADRA2CADRA1AADRA1D

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-A One kind is agricultural to turn photoreactivation plastic foil and preparation method thereof 成都新柯力化工科技有限公司 2018-04-20 CN disclosed
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