SCHEMBL28264576

SCHEMBL28264576

c1ccc2c(c1)[nH]c1ccc(-c3cccc4c5ccccc5c5ccccc5c34)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ GPR3 P46089 2/20 0.48
▸ KIF11 P52732 5/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GABRP O00591 2/20 0.43
▸ GABRD O14764 2/20 0.43
▸ GABRA1 P14867 2/20 0.43
▸ GABRB1 P18505 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ GABRB2 P47870 2/20 0.43

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
SCHEMBL17231619 0.92 AHR (0.47) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL29742929 0.90 AHR (0.52) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL18429999 0.90 AHR (0.52) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL20321489 0.85 AHR (0.59) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17885394 0.83 AHR (0.44) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17277906 0.83 IMPDH2 (0.49) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL3419553 0.83 AHR (0.52) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL10614460 0.83 AHR (0.52) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL9983030 0.83 AHR (0.52) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL3417429 0.82 AHR (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108976212-A Fluorene derivative and its application in luminous organic material 北京鼎材科技有限公司 2018-12-11 — — CN disclosed
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