SCHEMBL8102004

SCHEMBL8102004

COc1ccc(S(=O)(=O)N=C=O)cc1N=C=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NAAA Q02083 2/20 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
SCHEMBL5654256 0.90 ALDH1A1 (0.47) ALDH1A1LMNAF2PRSS1PRSS2
SCHEMBL6117427 0.82 SMN1; SMN2 (0.54) ALDH1A1LMNAPOLBTSHRMAPK1
SCHEMBL6112832 0.81 PTGS2 (0.52) ALDH1A1LMNAPOLBTSHRMAPK1
SCHEMBL7465466 0.81 POLB (0.59) LMNAF2PRSS1PRSS2PRSS3
SCHEMBL5186820 0.80 ALDH1A1 (0.47) ALDH1A1LMNAPOLBTSHRMAPK1
SCHEMBL6118551 0.79 L3MBTL1 (0.47) ALDH1A1LMNAF2PRSS1PRSS2
SCHEMBL6118827 0.79 MAPT (0.52) ALDH1A1LMNAPOLBTSHRMAPK1
SCHEMBL5653136 0.78 ALDH1A1 (0.45) ALDH1A1LMNAPOLBCYP3A4HPGD
SCHEMBL5653135 0.78 SMN1; SMN2 (0.51) ALDH1A1LMNAF2PRSS1PRSS2
SCHEMBL741260 0.76 MAPK1 (0.58) ALDH1A1LMNAF2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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