SCHEMBL17680290

SCHEMBL17680290

c1ccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
LDHA P00338 1/20 0.41
HPGDS O60760 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP1A2 P05177 2/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
TNF P01375 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
MET P08581 1/20 0.36
NPC1 O15118 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL17680291 0.98 IDO1 (0.43) IDO1TDO2LDHAHPGDSHSD17B1
SCHEMBL14849144 0.95 LDHA (0.45) IDO1TDO2LDHAHPGDSHSD17B1
SCHEMBL17680293 0.94 HPGDS (0.39) IDO1TDO2LDHAHPGDSHSD17B1
SCHEMBL13682497 0.89 HSD17B1 (0.38) IDO1TDO2HPGDSHSD17B1HSD17B2
SCHEMBL12014581 0.89 IDO1 (0.38) IDO1TDO2HPGDSHSD17B1HSD17B2
SCHEMBL17680294 0.88 HSD17B1 (0.42) HSD17B1HSD17B2CYP11B1CYP11B2CYP1A2
SCHEMBL15446819 0.87 IDO1 (0.44) IDO1TDO2LDHAHPGDSHSD17B1
SCHEMBL19767994 0.86 PARP1 (0.43) IDO1TDO2LDHAHPGDSHSD17B1
SCHEMBL17680301 0.86 KDM4E (0.41) HPGDSCYP1A2NPC1ALDH1A1HPGD
SCHEMBL12345130 0.86 LDHA (0.45) IDO1TDO2LDHAHPGDSHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010056-B1 ORGANIC LIGHT EMITTING DIODE DEVICE LG DISPLAY CO LTD (KR) 2019-04-17 EP disclosed
US-9773983-B2 Organic light emitting diode device LG DISPLAY CO., LTD. (KR) 2017-09-26 US disclosed
US-9773983-B2 Organic light emitting diode device LG DISPLAY CO., LTD. (KR) 2017-09-26 US disclosed
US-20160104844-A1 ORGANIC LIGHT EMITTING DIODE DEVICE LG DISPLAY CO., LTD. (KR) 2016-04-14 US disclosed
US-20160104844-A1 ORGANIC LIGHT EMITTING DIODE DEVICE LG DISPLAY CO., LTD. (KR) 2016-04-14 US disclosed