SCHEMBL20077832

SCHEMBL20077832

C=CC(N)c1ccccc1C(=C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL1081634 0.79 CYP3A4 (0.32) ADRA2AADRA2BADRA2C
SCHEMBL27844762 0.79 CYP2D6 (0.39) ADRA2AADRA2BADRA2C
SCHEMBL461023 0.78 ALDH1A1 (0.46)
SCHEMBL4553803 0.78 KDM4E (0.44)
SCHEMBL666673 0.77 DPP4 (0.33)
SCHEMBL11036461 0.76 AKT1 (0.42)
SCHEMBL1362730 0.76 GABRA1 (0.50) ADRA2AADRA2BADRA2C
Hydrogen Peroxide SCHEMBL9619640 0.74 GABRA1 (0.48) ADRA2AADRA2BADRA2C
SCHEMBL487601 0.74 HPGD (0.35) ADRA2AADRA2BADRA2C
SCHEMBL2212689 0.74 MAPT (0.49)

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
WO-2018070773-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-04-19 WO disclosed