SCHEMBL10315445

SCHEMBL10315445

c1ccc2c(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5cccc6ccccc56)cc4)cc3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HCRTR1 O43613 1/20 0.39
PKM P14618 1/20 0.39
PTPN2 P17706 1/20 0.39

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
SCHEMBL10315232 0.98 NPC1 (0.45) NPC1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL22007111 0.93 NPC1 (0.51) NPC1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL13133818 0.90 NPC1 (0.49) NPC1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL27257858 0.90 NPC1 (0.49) NPC1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL26468243 0.88 NPC1 (0.45) NPC1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL10315255 0.88 NPC1 (0.43) NPC1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL10315454 0.86 ALDH1A1 (0.43) NPC1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL10315465 0.86 NPC1 (0.45) NPC1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL10315241 0.85 ALDH1A1 (0.43) NPC1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL10315214 0.85 ALDH1A1 (0.44) NPC1ALDH1A1HSD17B10HPGDKDM4E

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
EP-2067778-B1 Quinoxaline derivative, and light emitting element, light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LAB (JP) 2016-08-17 EP disclosed
US-8216696-B2 Quinoxaline derivative, and light emitting element, light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-10 US disclosed
US-8216696-B2 Quinoxaline derivative, and light emitting element, light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-10 US disclosed
EP-2067778-A1 Quinoxaline derivative, and light emitting element, licht emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-06-10 EP disclosed