SCHEMBL27822337

SCHEMBL27822337

O=C1c2ccccc2C(=O)c2c1cccc2-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
MAOA P21397 2/20 0.52
MAOB P27338 1/20 0.52
PTGS2 P35354 1/20 0.50
USP2 O75604 1/20 0.49
USP1 O94782 1/20 0.49
USP8 P40818 1/20 0.49
OTUB1 Q96FW1 1/20 0.49
USP36 Q9P275 1/20 0.49
PDK2 Q15119 1/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP2A6 P11509 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ADORA2A P29274 2/20 0.46
KCNA5 P22460 1/20 0.45
DHPS P49366 2/20 0.44

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
SCHEMBL28604381 0.80 PTGS2 (0.44) KMT2APTGS2USP2USP1USP8
SCHEMBL1038974 0.79 ADORA2A (0.57) MEN1MAPTKMT2AMAOAMAOB
SCHEMBL28674858 0.79 CYP2A6 (0.61) MEN1MAPTPTGS2PDK2ALDH1A1
SCHEMBL31663556 0.78 CYP2A6 (0.54) MAPTPTGS2PDK2ALDH1A1CYP2A6
SCHEMBL28427457 0.78 CYP2A6 (0.54) MAPTPTGS2PDK2ALDH1A1CYP2A6
Ammonia Solution, Strong SCHEMBL27523091 0.77 ADORA2A (0.55) MEN1MAPTKMT2AMAOAMAOB
SCHEMBL20541087 0.77 CYP2A6 (0.70) MAPTPTGS2ALDH1A1CYP2A6CYP3A4
SCHEMBL30026143 0.77 CYP2A6 (0.70) MAPTPTGS2ALDH1A1CYP2A6CYP3A4
SCHEMBL23120052 0.77 PDK2 (0.53) MEN1MAPTPTGS2PDK2ALDH1A1
SCHEMBL1155472 0.75 CYP2A6 (0.61) MEN1MAPTPTGS2PDK2ALDH1A1

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-101891673-B Organic material and application thereof in organic electroluminescence devices KUNSHAN VISIONOX DISPLAY TECH 2013-03-20 CN disclosed
CN-101891673-A Organic material and application thereof in organic electroluminescence devices KUNSHAN VISIONOX DISPLAY TECH 2010-11-24 CN disclosed