SCHEMBL1080710

SCHEMBL1080710

NS(=O)(=O)c1ccc(N2C=CON2)cc1N1C=CON1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
CA1 P00915 2/20 0.32
CA7 P43166 2/20 0.31

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
SCHEMBL1080712 0.80 CA2 (0.45) CA2CA12CA9CA1CA7
SCHEMBL2578679 0.73 PIK3CD (0.31)
SCHEMBL3673619 0.72 CA1 (0.30) CA2CA12CA9CA1CA7
SCHEMBL19386070 0.69 CA2 (0.35) CA2CA12CA9CA1CA7
SCHEMBL19386069 0.64 HTR6 (0.31)
SCHEMBL876752 0.63 NOS3 (0.36)
SCHEMBL3477728 0.62 CA1 (0.37) CA2CA12CA9CA1CA7
Ammonia Solution, Strong SCHEMBL1065028 0.61 CFTR (0.33)
SCHEMBL5602626 0.60 NOTUM (0.47)
SCHEMBL2282741 0.58 NPC1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013009810-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO claimed
WO-2013009830-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO claimed
EP-2451285-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-05-16 EP claimed
WO-2011005608-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-01-13 WO claimed
WO-2019171234-A9 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2020-01-09 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2013009810-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
WO-2013009830-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed