SCHEMBL2328795

SCHEMBL2328795

O=C(Nc1ccc2cc(S(=O)(=O)O)ccc2c1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
ROCK2 O75116 1/20 0.56
SNCA P37840 1/20 0.55
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NAMPT P43490 1/20 0.53
TGM2 P21980 3/20 0.53
POLB P06746 1/20 0.52
ENPP2 Q13822 2/20 0.51
PTPN1 P18031 1/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50

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
SCHEMBL2328895 0.96 MGLL (0.55) MGLLROCK2SNCATP53MAPT
SCHEMBL2329360 0.89 MGLL (0.55) MGLLROCK2TP53MAPTNPC1
SCHEMBL4432278 0.86 MGLL (0.65) MGLLROCK2TP53MAPTNPC1
SCHEMBL30207797 0.86 MGLL (0.65) MGLLROCK2TP53MAPTNPC1
SCHEMBL2329710 0.85 MGLL (0.54) MGLLROCK2TP53MAPTNPC1
SCHEMBL2746902 0.84 MGLL (0.62) MGLLROCK2TP53MAPTNPC1
SCHEMBL28804964 0.82 CYSLTR1 (0.62) MGLLROCK2TP53MAPTNPC1
SCHEMBL1530116 0.82 MGLL (0.59) MGLLROCK2TP53MAPTNPC1
SCHEMBL29663530 0.82 CYSLTR1 (0.62) MGLLROCK2TP53MAPTNPC1
SCHEMBL7418453 0.80 ROCK2 (0.47) MGLLROCK2NPC1RAB9ASMN1; SMN2

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 5 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
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