SCHEMBL16805019

SCHEMBL16805019

Cc1cncc(-c2cccc3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNB3 Q05901 1/20 0.45
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
CYP2A6 P11509 4/20 0.45
TNF P01375 1/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDO2 P48775 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
DHFR P00374 1/20 0.41
GBA1 P04062 1/20 0.40

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
SCHEMBL9612921 0.84 DHFR (0.40) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL18174613 0.83 ENPP3 (0.39) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL9613083 0.82 DHFR (0.40) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL27978776 0.80 CYP2A6 (0.40) ENPP3ENPP1CYP2A6TNFTDO2
SCHEMBL30545233 0.80 ENPP3 (0.47) CHRNB1CHRNB2CHRNB4CHRNA3ENPP3
SCHEMBL838870 0.80 ENPP3 (0.47) CHRNB1CHRNB2CHRNB4CHRNA3ENPP3
SCHEMBL30963861 0.79 CYP11B1 (0.53) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL30963859 0.79 CYP11B1 (0.53) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL25763692 0.79 CHRNB1 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL4323024 0.78 ENPP1 (0.48) CHRNB1CHRNB2CHRNB4CHRNA3ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666807-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160028017-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-28 US disclosed
US-20150171337-A1 AMINE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-18 US disclosed
CN-102977007-B Method for synthesizing 3-aryl pyridine derivative UNIV HUNAN 2014-11-05 CN disclosed
CN-102977007-A Method for synthesizing 3-aryl pyridine derivative UNIV HUNAN 2013-03-20 CN disclosed