SCHEMBL13816872

SCHEMBL13816872

c1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3ccccc3)c3ccccc3-c3nc4ccccc4o3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.43
NPC1 O15118 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TOP2A P11388 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 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
SCHEMBL10315451 0.99 PTGS2 (0.43) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10315244 0.93 NPC1 (0.46) NPC1MEN1KMT2ARAB9AATM
SCHEMBL10315229 0.92 NPC1 (0.47) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10315436 0.92 NPC1 (0.47) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10315241 0.91 ALDH1A1 (0.43) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10315454 0.90 ALDH1A1 (0.43) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10315461 0.89 NPC1 (0.49) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10315235 0.87 ALDH1A1 (0.43) PTGS2NPC1MEN1KMT2ARAB9A
SCHEMBL10315255 0.87 NPC1 (0.43) NPC1MEN1KMT2ARAB9AATM
SCHEMBL4248096 0.86 NPC1 (0.54) NPC1MEN1KMT2ARAB9AATM

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 2 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
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