SCHEMBL2331780

SCHEMBL2331780

O=S(=O)(Cl)c1ccc2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.64
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA4 P22748 2/20 0.54
CA5A P35218 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.50
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOB P27338 2/20 0.48
CA3 P07451 1/20 0.48
MAOA P21397 1/20 0.48
CA6 P23280 1/20 0.48
MTNR1A P48039 1/20 0.48
CA14 Q9ULX7 1/20 0.48
AR P10275 2/20 0.47

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
SCHEMBL2329379 0.97 ALOX5 (0.63) ALOX5CA12CA1CA2CA7
SCHEMBL14149692 0.86 CA12 (0.70) ALOX5CA12CA1CA2CA7
SCHEMBL2329652 0.86 ALOX5 (0.64) ALOX5CA12CA1CA2CA7
SCHEMBL926213 0.83 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL8984340 0.83 ALOX5 (0.92) ALOX5CA12CA1CA2CA7
SCHEMBL2331902 0.82 ALOX5 (0.63) ALOX5CA12CA1CA2CA7
SCHEMBL3682884 0.82 MAOB (0.54) ALOX5CA12CA1CA2CA7
SCHEMBL27476966 0.81 ALOX5 (0.61) ALOX5CA12CA1CA2CA7
SCHEMBL51460 0.79 ALOX5 (1.00) ALOX5CA12CA1CA2CA7
SCHEMBL2327117 0.79 GAA (0.56) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed
CN-1190395-A Substituted (sulfonic, sulfinic, sulfonamido or sulfonamido) N- [ aminoiminomethyl) phenylalkyl ] -azaheterocyclic amide compounds RHONE POULENC RORER PHARMA (US) 1998-08-12 CN disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed