SCHEMBL4198329

SCHEMBL4198329

Cn1c(=O)ccc2c[c]ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 17/20 0.55
BRD9 Q9H8M2 6/20 0.55
BRD4 O60885 5/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
KAT2B Q92831 1/20 0.55
BRD1 O95696 10/20 0.37
BRPF3 Q9ULD4 5/20 0.37
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
BCL6 P41182 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL1450538 0.85 BRPF1 (0.55) BRPF1BRD9BRD4CA12CA9
SCHEMBL9080236 0.77 MAPT (0.55)
SCHEMBL4198042 0.77 BTK (0.39)
SCHEMBL27335443 0.74
Hydrochloric Acid SCHEMBL7218030 0.72 BRPF1 (0.92) BRPF1BRD9BRD4CA12CA9
SCHEMBL29967380 0.71 BRPF1 (1.00) BRPF1BRD9BRD4CA12CA9
SCHEMBL552070 0.71 PIK3CD (0.43) BRPF1BRD4PIK3CDPIK3CAPIK3CB
SCHEMBL248619 0.71 BRPF1 (1.00) BRPF1BRD9BRD4CA12CA9
SCHEMBL1419488 0.71 MEN1 (0.37)
SCHEMBL443607 0.69 PRKCI (0.44) PIK3CB

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP claimed
US-5519022-A α, α dialkylbenzyl derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-05-21 US claimed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US claimed
EP-0462812-B1 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP claimed
EP-0462830-B1 Cyclic ether derivatives ZENECA LTD (GB) 1995-10-18 EP claimed
US-5407945-A Pyran derivatives and their use as inhibitors of 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES, INC. (GB) 1995-04-18 US claimed
US-5367079-A Lipoxygenase inhibitors; antiinflammatory agents, antiallergens ZENECA LIMITED (GB) 1994-11-22 US claimed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO claimed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP claimed
EP-0420511-B1 Heterocyclic derivatives ICI PLC (GB) 1994-08-17 EP claimed
EP-0570112-A1 Cycloalkane derivatives ZENECA LIMITED (GB) 1993-11-18 EP claimed
US-5232930-A Antiinflammatory antiallergen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-03 US claimed
US-5221677-A For treating diseases mediated by leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-22 US claimed
US-5217978-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US claimed
EP-0540165-A1 Alkanoic acid derivatives ZENECA LIMITED (GB) 1993-05-05 EP claimed
EP-0505122-A1 Alpha, alpha-dialkylbenzyl derivatives ZENECA LIMITED (GB) 1992-09-23 EP claimed
EP-0500205-A1 Benzodioxole derivatives ZENECA LIMITED (GB) 1992-08-26 EP claimed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 EP claimed
EP-0462812-A2 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP claimed
EP-0420511-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP claimed