SCHEMBL28878401

SCHEMBL28878401

c1ccc(N(c2ccccc2)c2cccc(-c3ccc4[nH]c5ccccc5c4c3)c2-c2ccc3[nH]c4ccccc4c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GPR3 P46089 1/20 0.37
KIF11 P52732 5/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HCRTR1 O43613 1/20 0.33
RAB9A P51151 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33

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
SCHEMBL29963586 1.00 AHR (0.40) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL262363 0.89 AHR (0.44) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL18351984 0.85 AHR (0.41) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL263209 0.84 AHR (0.36) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL263074 0.82 HPGD (0.40) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL24398250 0.80 AHR (0.50) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL31624061 0.79 CDK4 (0.41) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL15926331 0.79 CDK4 (0.41) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL15926345 0.79 CDK4 (0.41) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL263048 0.79 AHR (0.48) AHRALDH1A1HSD17B10GPR3KIF11

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
CN-115548239-A Light emitting device and light emitting apparatus 株式会社半导体能源研究所 2022-12-30 CN disclosed
CN-115148919-A Mixed material for light-emitting device 株式会社半导体能源研究所 2022-10-04 CN disclosed