SCHEMBL8553999

SCHEMBL8553999

S=C1C=Cc2ccccc2[N]1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TRPA1 O75762 1/20 0.30

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
SCHEMBL10434951 0.82 MAPT (0.39) GAAMAPTTRPA1
SCHEMBL612799 0.82 MAPT (0.39) GAAMAPTTRPA1
SCHEMBL223884 0.71 MAPT (0.37) GAAMAPTTRPA1
SCHEMBL6843536 0.71 MAPT (0.39) GAAMAPTTRPA1
SCHEMBL9202967 0.67 CA12 (0.32)
SCHEMBL9212379 0.65 TRPA1 (0.42) TRPA1
SCHEMBL4795499 0.63 TRPA1 (0.50) GAAMAPTTRPA1
SCHEMBL4795502 0.63 TRPA1 (0.50) GAAMAPTTRPA1
SCHEMBL9205333 0.63 TRPA1 (0.35) TRPA1
SCHEMBL3767165 0.62 MAPT (0.53) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466452-B1 Thioxo heterocycles and their pharmaceutical use ZENECA LTD (GB) 1995-09-20 EP claimed
US-5240941-A Enzyme inhibitors; antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-08-31 US claimed
EP-0466452-A2 Thioxo heterocycles and their pharmaceutical use ZENECA LIMITED (GB) 1992-01-15 EP claimed
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 disclosed
US-5519022-A α, α dialkylbenzyl derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-05-21 US disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
EP-0701560-A1 BICYCLIC ETHER DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1996-03-20 EP disclosed
US-5484805-A LIPOXYGENASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-01-16 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
EP-0462812-B1 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP disclosed
WO-1995030668-A1 CYCLIC ETHER DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ZENECA LIMITED (GB) 1995-11-16 WO disclosed
EP-0570112-A1 Cycloalkane derivatives ZENECA LIMITED (GB) 1993-11-18 EP disclosed
US-5240941-A Enzyme inhibitors; antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-08-31 US disclosed
US-5232930-A Antiinflammatory antiallergen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-03 US disclosed
US-5217978-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0540165-A1 Alkanoic acid derivatives ZENECA LIMITED (GB) 1993-05-05 EP disclosed
EP-0505122-A1 Alpha, alpha-dialkylbenzyl derivatives ZENECA LIMITED (GB) 1992-09-23 EP disclosed
EP-0500205-A1 Benzodioxole derivatives ZENECA LIMITED (GB) 1992-08-26 EP disclosed
EP-0466452-A2 Thioxo heterocycles and their pharmaceutical use ZENECA LIMITED (GB) 1992-01-15 EP disclosed
EP-0462812-A2 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed