SCHEMBL7430814

SCHEMBL7430814

O=S(=O)(O)c1cc(Cl)cs1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.33
KIT P10721 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
DAO P14920 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
Hydrochloric Acid SCHEMBL28853117 0.98 CA2 (0.33) CA2KITALDH1A1CYP3A4MAPK1
SCHEMBL2908193 0.79 ALDH1A1 (0.32) CA2KITALDH1A1CYP3A4MAPK1
SCHEMBL4645608 0.77 CA2 (0.50) CA2
SCHEMBL6282064 0.74 CES2 (0.43) CA2ALDH1A1
SCHEMBL23569835 0.74 CA2 (0.39) CA2KIT
SCHEMBL5138444 0.73 CES2 (0.41) CA2ALDH1A1
Hydrochloric Acid SCHEMBL28195525 0.73 CES2 (0.41) CA2ALDH1A1
SCHEMBL18701683 0.73 CA2 (0.33) CA2
SCHEMBL8122844 0.73 ALDH1A1 (0.38) CA2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL27830652 0.71 DAO (0.42) CA2KITALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282605-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-10-04 US disclosed
WO-2017060699-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-04-13 WO disclosed
CN-1418882-A Substituted sulfonic acid N- [ (aminoiminomethyl) phenylalkyl ] -azacyclic amide compounds AVENTIS PHARMACENEITCALS INC (US) 2003-05-21 CN disclosed
CN-1093856-C Substituted sulfonic acid N- [ (aminoiminomethyl) phenylalkyl ] -azacyclic amide compounds AVENTIS PHARM PROD INC (US) 2002-11-06 CN disclosed
EP-0894088-A4 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2001-12-05 EP disclosed
US-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed
CN-1213370-A Substituted sulfonic acid N- [ (aminoiminomethyl) phenylalkyl ] -azacyclic amide compounds RHONE POULENC RORER PHAMACEUTI (US) 1999-04-07 CN disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed