SCHEMBL17691981

SCHEMBL17691981

c1ccc2c(c1)c(-c1ncncn1)cc1ccc3cc(-c4ncncn4)ccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TDO2 P48775 4/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
CYP11B1 P15538 2/20 0.33
ERN1 O75460 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
SCHEMBL17692004 0.90 TDO2 (0.35) CYP1A2ALDH1A1HPGDERBB2FYN
SCHEMBL17691979 0.88 ALDH1A1 (0.39) CYP1A2ALDH1A1HPGDERBB2FYN
SCHEMBL17691999 0.88 ALDH1A1 (0.35) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17691987 0.86 ALDH1A1 (0.42) CYP1A2ALDH1A1HPGDERBB2FYN
SCHEMBL17692041 0.86 ALDH1A1 (0.35) CYP1A2ALDH1A1HPGDERBB2FYN
SCHEMBL17692011 0.83 MAPT (0.37) CYP1A2ALDH1A1HPGDERBB2FYN
SCHEMBL13408708 0.82 ALDH1A1 (0.42) CYP1A2ALDH1A1HPGDERBB2FYN
SCHEMBL17691831 0.81 ALDH1A1 (0.47) CYP1A2ALDH1A1HPGDERBB2FYN
SCHEMBL22618031 0.81 KDM4E (0.31) ALDH1A1TSHRHSD17B10KDM4EMAPT
SCHEMBL22617967 0.80 AHR (0.38) CYP1A2ALDH1A1HPGDAHRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 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