SCHEMBL10162078

SCHEMBL10162078

CN(c1ccccc1)c1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.52
ITK Q08881 1/20 0.49
KIF11 P52732 8/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
GPR3 P46089 1/20 0.48
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
KDR P35968 1/20 0.43
ATM Q13315 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL10358233 0.85 KIF11 (0.45) AHRITKKIF11KDM4EALDH1A1
SCHEMBL11846487 0.84 AHR (0.57) AHRKIF11KDM4EALDH1A1HSD17B10
SCHEMBL1689481 0.82 AHR (0.55) AHRKIF11KDM4EALDH1A1HSD17B10
SCHEMBL21368555 0.82 AHR (0.55) AHRKIF11KDM4EALDH1A1HSD17B10
SCHEMBL21368397 0.82 AHR (0.55) AHRKIF11KDM4EALDH1A1HSD17B10
SCHEMBL3333758 0.82 AHR (0.55) AHRKIF11KDM4EALDH1A1HSD17B10
SCHEMBL29407357 0.82 AHR (0.55) AHRKIF11KDM4EALDH1A1HSD17B10
SCHEMBL12262929 0.80 NPC1 (0.45) KIF11KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL20331382 0.79 KIF11 (0.53) AHRKIF11KDM4EALDH1A1HSD17B10
SCHEMBL18137223 0.78 AHR (0.59) AHRKIF11KDM4EALDH1A1HSD17B10

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
EP-2031036-B1 Light-emitting element, light-emitting device, and electronic appliance SEMICONDUCTOR ENERGY LAB (JP) 2012-06-27 EP disclosed
WO-2008038607-A1 ANTHRACENE DERIVATIVE, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING THE ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-03 WO disclosed
WO-2007125934-A1 ANTHRACENE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE USING ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-11-08 WO disclosed