SCHEMBL5655083

SCHEMBL5655083

O=C=NS(=O)(=O)c1cccc2c(S(=O)(=O)N=C=O)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.42
PRSS1 P07477 6/20 0.42
PRSS2 P07478 6/20 0.42
PRSS3 P35030 6/20 0.42
CDK2 P24941 1/20 0.39
TTR P02766 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
DNMT1 P26358 1/20 0.35
MCL1 Q07820 1/20 0.35
NSD2 O96028 2/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL7835222 0.88 F2 (0.57) F2PRSS1PRSS2PRSS3CA2
SCHEMBL5654332 0.88 CYP3A4 (0.43) F2PRSS1PRSS2PRSS3CDK2
SCHEMBL6677573 0.84 GAA (0.36) F2PRSS1PRSS2PRSS3TTR
SCHEMBL31259921 0.77 NFE2L2 (0.38) TDP1L3MBTL1
SCHEMBL5268908 0.77 NFE2L2 (0.38) TDP1L3MBTL1
SCHEMBL10728969 0.76 TSHR (0.45)
SCHEMBL10747298 0.75 LOX (0.36) CA2CA9HTT
SCHEMBL11107609 0.75 GAA (0.54) F2PRSS1PRSS2PRSS3TTR
SCHEMBL11169574 0.75 CA2 (0.47) CDK2CA2CA1CA9LDHA
SCHEMBL1124590 0.75 HSD11B1 (0.40) L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030274-B2 Process for the production of carbodiimide modified organic isocyanates BAYER MATERIALSCIENCE LLC (US) 2006-04-18 US disclosed
US-20050282993-A1 Process for the production of carbodiimide modified organic isocyanates COVESTRO LLC 2005-12-22 US disclosed
EP-1607425-A1 Process for the production of carboiimide modified organic isocyanates Bayer MaterialScience LLC (US) 2005-12-21 EP disclosed
US-6362247-B1 DEACTIVATION PHOSPHOLENE CATALYSTS ROHM AND HAAS COMPANY 2002-03-26 US disclosed
EP-1054029-A1 Method of improving stability of aromatic polycarbodimides ROHM AND HAAS COMPANY (US) 2000-11-22 EP disclosed
US-5045226-A Reaction product of tin compound with sulfonyl isocyanate, storage stability, polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
EP-0173252-B1 PROCESS FOR THE PREPARATION OF OLIGOMERIC POLYISOCYANATES AND THEIR USE IN THE PREPARATION OF POLYURETHANE PLASTICS BAYER AG (DE) 1989-07-26 EP disclosed
US-4824595-A Polyisocyanate compositions containing reversibly blocked catalysts and addition products of sulfonyl isocyanates with catalysts having a tin(II)- or tin(IV)-carboxylate structure BAYER AKTIENGESELLSCHAFT (DE) 1989-04-25 US disclosed
EP-0172379-B1 MATERIAL FOR ORTHOPAEDIC BANDAGES BAYER AG (DE) 1989-04-19 EP disclosed
EP-0132675-B1 PREPARATIONS OF POLYISOCYNATE CONTAINING REVERSIBLY BLOCKED CATALYSTS, PROCESS FOR THEIR PRODUCTION, THEIR USE IN THE PRODUCTION OF POLYURETHANES, AND ADDITION PRODUCTS OF SULFONYLISOCYANATES ON CATALYSTS WITH A STRUCTURE OF CARBOXYLATES OF TIN II OR IV BAYER AG (DE) 1988-12-07 EP disclosed
EP-0232541-A2 Polyisocyanate compositions containing latent tin-catalysts, their use in the preparation of polyurethane resins and reaction products of sulfonyl isocyanates with selected tin compounds BAYER AG (DE) 1987-08-19 EP disclosed
US-4638795-A FOR MEDICAL AND VETERINARY USE; BASED ON POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed
US-4614785-A TERTIARY PHOSPHINE OR PERALKYLATED PHOSPHORUS ACID TRIAMIDE CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1986-09-30 US disclosed
EP-0173252-A2 Process for the preparation of oligomeric polyisocyanates and their use in the preparation of polyurethane plastics BAYER AG (DE) 1986-03-05 EP disclosed
EP-0172379-A1 Material for orthopaedic bandages BAYER AG (DE) 1986-02-26 EP disclosed
EP-0132675-A2 Preparations of polyisocynate containing reversibly blocked catalysts, process for their production, their use in the production of polyurethanes, and addition products of sulfonylisocyanates on catalysts with a structure of carboxylates of tin II or IV BAYER AG (DE) 1985-02-13 EP disclosed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed