SCHEMBL28267452

SCHEMBL28267452

Brc1ccc2c([nH]c3ccccc32)c1-c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 6/20 0.45
▸ IDO1 P14902 3/20 0.43
▸ GABRP O00591 2/20 0.42
▸ GABRD O14764 2/20 0.42
▸ GABRA1 P14867 2/20 0.42
▸ GABRB1 P18505 2/20 0.42
▸ GABRG2 P18507 2/20 0.42
▸ GABRB3 P28472 2/20 0.42
▸ GABRA5 P31644 2/20 0.42
▸ GABRA3 P34903 2/20 0.42
▸ GABRA2 P47869 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ GABRA4 P48169 2/20 0.42
▸ GABRE P78334 2/20 0.42
▸ GABRA6 Q16445 2/20 0.42
▸ GABRG1 Q8N1C3 2/20 0.42
▸ GABRG3 Q99928 2/20 0.42
▸ GABRQ Q9UN88 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL148082 0.77 BCHE (0.50) TDO2IDO1GABRPGABRDGABRA1
SCHEMBL1683250 0.76 ESR1 (0.55) TDO2IDO1GABRPGABRDGABRA1
SCHEMBL28847891 0.71 TLR8 (0.50) ALDH1A1HSD17B10METAP1KIF11TUBB4A
SCHEMBL29259140 0.70 KIF11 (0.45) TDO2IDO1GABRPGABRDGABRA1
SCHEMBL409752 0.69 KIF11 (0.55) TDO2IDO1GABRPGABRDGABRA1
SCHEMBL29897733 0.69 KIF11 (0.55) TDO2IDO1GABRPGABRDGABRA1
SCHEMBL26087436 0.66 TDO2 (0.64) TDO2IDO1GABRPGABRDGABRA1
SCHEMBL17094777 0.66 AR (0.58) TDO2IDO1GABRPGABRDGABRA1
SCHEMBL13563976 0.66 KIF11 (0.78) TDO2GABRPGABRDGABRA1GABRB1
SCHEMBL191347 0.66 KIF11 (0.71) TDO2GABRPGABRDGABRA1GABRB1

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-106366069-B A kind of preparation method of N- heteroaryl carbazole compound 浙江工业大学 2019-01-08 — — CN disclosed
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