SCHEMBL27931484

SCHEMBL27931484

Cc1ccccc1-c1cc(Br)ccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.50
▸ GABRA1 P14867 2/20 0.46
▸ GABRG2 P18507 2/20 0.46
▸ GABRB3 P28472 2/20 0.46
▸ GABRA5 P31644 2/20 0.46
▸ GABRA3 P34903 2/20 0.46
▸ GABRA2 P47869 2/20 0.46
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ GABRA4 P48169 1/20 0.46
▸ GABRE P78334 1/20 0.46
▸ GABRA6 Q16445 1/20 0.46
▸ GABRG1 Q8N1C3 1/20 0.46
▸ GABRG3 Q99928 1/20 0.46
▸ GABRQ Q9UN88 1/20 0.46
▸ S100A4 P26447 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44

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
SCHEMBL31903 0.89 HSD17B10 (0.50) HSD17B10GABRA1GABRG2GABRB3GABRA5
SCHEMBL2360248 0.84 HSD17B10 (0.69) HSD17B10S100A4ALDH1A1TP53CYP1A2
SCHEMBL30564320 0.84 HSD17B10 (0.69) HSD17B10S100A4ALDH1A1TP53CYP1A2
SCHEMBL20249712 0.84 HSD17B10 (0.47) HSD17B10GABRA1GABRG2GABRB3GABRA5
SCHEMBL11731287 0.82 GABRA1 (0.54) HSD17B10GABRA1GABRG2GABRB3GABRA5
SCHEMBL28573351 0.78 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31542121 0.76 MAOB (0.56) HSD17B10ALDH1A1CYP3A4MAPK1TSHR
SCHEMBL3270267 0.75 S1PR1 (0.56) HSD17B10ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL30987815 0.75 ALDH1A1 (0.71) HSD17B10S100A4ALDH1A1TP53CYP1A2
SCHEMBL29337140 0.75 ALDH1A1 (0.71) HSD17B10S100A4ALDH1A1TP53CYP1A2

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-103183691-A 6-mesitylene-6H-6-boron hetero benzo[cd]pyrene derivative containing substituted or non-substituted carbazolyl, and preparation method and application thereof, and luminescent device comprising same KUNSHAN VISIONOX DISPLAY TECH 2013-07-03 — — CN disclosed
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