SCHEMBL9027928

SCHEMBL9027928

Cc1cc2c(cc1Br)n(C)c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.64
▸ BRPF1 P55201 8/20 0.48
▸ BRD1 O95696 6/20 0.48
▸ TAF1 P21675 5/20 0.48
▸ HSD17B10 Q99714 2/20 0.44
▸ BRD4 O60885 4/20 0.44
▸ PKM P14618 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ S100B P04271 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL5752773 0.87 ATAD2 (0.48) ATAD2BRPF1BRD1TAF1PKM
SCHEMBL19657546 0.84 ATAD2 (0.71) ATAD2BRPF1BRD1TAF1HSD17B10
SCHEMBL16771511 0.78 ATAD2 (1.00) ATAD2BRPF1BRD1TAF1HSD17B10
SCHEMBL17534190 0.77 ATAD2 (0.68) ATAD2BRPF1BRD1TAF1HSD17B10
SCHEMBL19644300 0.77 ATAD2 (0.47) ATAD2BRPF1BRD1TAF1HSD17B10
SCHEMBL19657544 0.74 ATAD2 (0.59) ATAD2BRPF1BRD1TAF1HSD17B10
SCHEMBL9027061 0.74 ATAD2 (0.44) ATAD2BRPF1BRD1TAF1HSD17B10
SCHEMBL19657848 0.72 ATAD2 (0.57) ATAD2BRPF1BRD1TAF1HSD17B10
SCHEMBL19448884 0.72 NQO2 (0.53) ATAD2BRPF1BRD1HSD17B10BRD4
SCHEMBL19448887 0.72 BRPF1 (0.53) ATAD2BRPF1BRD1BRD4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462831-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1996-02-28 — — EP disclosed
US-5462953-A Benzoxazolyl derivatives useful as 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-10-31 — — US disclosed
US-5364877-A Antiinflammatory agents, antiallergens ICI PHARMA (GB) 1994-11-15 — — US disclosed
US-5278177-A Enzyme inhibitory IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-11 — — US disclosed
US-5179115-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-12 — — US disclosed
EP-0462831-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 — — EP disclosed
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