SCHEMBL10315422

SCHEMBL10315422

CC(C)(C)c1ccc(-c2cc3nc(-c4ccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)cc4)c(-c4ccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)cc4)nc3cc2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 5/20 0.46
GFER P55789 1/20 0.46
TP53 P04637 3/20 0.45
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
P2RY6 Q15077 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
SCHEMBL10315197 0.99 NPC1 (0.46) NPC1RAB9AGFERTP53MAPT
SCHEMBL10315208 0.92 NPC1 (0.48) NPC1RAB9AGFERTP53MAPT
SCHEMBL10125937 0.90 NPC1 (0.51) NPC1RAB9AGFERTP53MAPT
SCHEMBL10315224 0.90 NPC1 (0.48) NPC1RAB9AGFERTP53MAPT
SCHEMBL10126064 0.90 NPC1 (0.53) NPC1RAB9AGFERTP53MAPT
SCHEMBL10315424 0.90 NPC1 (0.48) NPC1RAB9ATP53MAPTRXFP1
SCHEMBL10315179 0.90 NPC1 (0.48) NPC1RAB9ATP53MAPTRXFP1
SCHEMBL10315439 0.90 NPC1 (0.50) NPC1RAB9AGFERTP53MAPT
SCHEMBL10315429 0.90 NPC1 (0.44) NPC1RAB9AGFERTP53MAPT
SCHEMBL10315189 0.89 NPC1 (0.47) NPC1RAB9ATP53MAPTRXFP1

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-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