SCHEMBL5652756

SCHEMBL5652756

O=C=NS(=O)(=O)c1ccc(S(=O)(=O)N=C=O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CA12 O43570 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL5654748 0.85 MAPK1 (0.46) F2PRSS1PRSS2PRSS3CA1
SCHEMBL9871033 0.84 AKR1B1 (0.40) LMNAHSD11B1TRPV4
SCHEMBL30806178 0.84 AKR1B1 (0.40) LMNAHSD11B1TRPV4
SCHEMBL5655635 0.81 TDP1 (0.38) F2PRSS1PRSS2PRSS3CA1
SCHEMBL8853900 0.79 MAPK1 (0.58) TDP1PTGS1PTGS2TRPV4MAPK1
SCHEMBL5655949 0.79 LMNA (0.36) F2PRSS1PRSS2PRSS3TDP1
SCHEMBL5653955 0.76 F2 (0.37) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL1124590 0.76 HSD11B1 (0.40) L3MBTL1HSD11B1
SCHEMBL5654372 0.75 LMNA (0.43) TDP1POLBLMNAAPEX1L3MBTL1
SCHEMBL1125078 0.75 F2 (0.52) F2PRSS1PRSS2PRSS3CA1

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 16 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-0232541-B1 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) 1990-10-24 EP 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
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