SCHEMBL28868616

SCHEMBL28868616

Cc1nc(-c2ccccc2)n(-c2ccccc2C)n1.[Ir]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 1/20 0.54
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.39
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL29533750 0.98 ALDH1A1 (0.56) ALDH1A1TSHRPOLBMAPTNPC1
SCHEMBL461814 0.98 ALDH1A1 (0.56) ALDH1A1TSHRPOLBMAPTNPC1
SCHEMBL30317717 0.97 ALDH1A1 (0.54) ALDH1A1TSHRPOLBMAPTNPC1
SCHEMBL29462009 0.97 ALDH1A1 (0.54) ALDH1A1TSHRPOLBMAPTNPC1
SCHEMBL8510266 0.81 AKT1 (0.44) ALDH1A1TSHRPOLBMAPTRAB9A
SCHEMBL8510580 0.79 ALDH1A1 (0.50) ALDH1A1TSHRPOLBMAPTNPC1
SCHEMBL8511458 0.79 ALDH1A1 (0.50) ALDH1A1TSHRPOLBMAPTNPC1
SCHEMBL10585221 0.78 SMN1; SMN2 (0.59) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL8512156 0.76 USP2 (0.49) ALDH1A1TSHRPOLBMAPTNPC1
SCHEMBL15319582 0.75 PSMB5 (0.40) TSHRMAPTNPC1RAB9ANR1H2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106784344-B Light-emitting component, light emitting device, display device, electronic equipment and lighting device 株式会社半导体能源研究所 2019-01-01 CN disclosed