SCHEMBL5794468

SCHEMBL5794468

Cc1c(C(=O)OC(C)(C)C)[nH]c2cccc(Br)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ FEN1 P39748 1/20 0.38
▸ AR P10275 2/20 0.38
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 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
SCHEMBL24074529 0.82 KDM4E (0.48) GPR17ALDH1A1HSD17B10MAPTHPGD
SCHEMBL14602590 0.77 ALDH1A1 (0.63) ALDH1A1HSD17B10HTTUSP2MAPT
SCHEMBL5592328 0.73 NR4A2 (0.49) HTTMEN1NPC1RAB9AKMT2A
SCHEMBL6049264 0.72 GABRA1 (0.51) ALDH1A1HSD17B10HTTUSP2MAPT
SCHEMBL14174307 0.71 ALDH1A1 (0.43) ALDH1A1HSD17B10HTTUSP2MAPT
SCHEMBL486746 0.71 KMT2A (0.46) ALDH1A1HSD17B10HTTMAPTHPGD
SCHEMBL3964313 0.70 HRH4 (0.52) ALDH1A1HSD17B10GABRPGABRDGABRA1
SCHEMBL8795113 0.69 MAP3K5 (0.48) GPR17ALDH1A1HSD17B10MAPTHPGD
SCHEMBL29620239 0.69 KMT2A (0.47) ALDH1A1HSD17B10HTTMAPTHPGD
SCHEMBL24358283 0.69 KMT2A (0.47) ALDH1A1HSD17B10HTTMAPTHPGD

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
WO-2006034480-A2 SULFONAMIDE BICYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 — — WO disclosed
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