SCHEMBL16768563

SCHEMBL16768563

Nc1c(Nc2cccc3c2sc2ccccc23)c2ccncc2c2cnccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.39
TDO2 P48775 2/20 0.39
EGFR P00533 10/20 0.36
PARP14 Q460N5 1/20 0.36
LIMK1 P53667 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
NCOA1 Q15788 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RCE1 Q9Y256 1/20 0.32

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
SCHEMBL15138725 0.73 GPR3 (0.52) IDO1TDO2EGFRPARP14LIMK1
SCHEMBL16768562 0.71 IDO1 (0.57) IDO1TDO2GAA
SCHEMBL15903438 0.68 GPR3 (0.42) LIMK1CDK5CDK5R1KDM4EALDH1A1
SCHEMBL1102497 0.68 ALOX5 (0.44) IDO1TDO2PARP14PIM1KDM4E
SCHEMBL2518492 0.68 MEN1 (0.57) IDO1TDO2EGFRPARP14LIMK1
SCHEMBL30436181 0.68 MEN1 (0.57) IDO1TDO2EGFRPARP14LIMK1
SCHEMBL16768521 0.68 ALOX5 (0.42) IDO1TDO2PARP14LIMK1CDK5
SCHEMBL15460268 0.68 ALOX5 (0.45) PARP14KDM4EALDH1A1HTT
SCHEMBL16768564 0.67 TDO2 (0.58) IDO1TDO2CDK5CDK5R1ALDH1A1
SCHEMBL19738220 0.67 ALDH1A1 (0.50) PARP14KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed