SCHEMBL2329022

SCHEMBL2329022

Cc1c(S(=O)(=O)N[C@H]2CCN(Cc3csc(C#N)c3)C2=O)sc2ccc(Cl)cc12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.64
F2 P00734 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR6 P50406 8/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 3/20 0.40
HTR7 P34969 3/20 0.40
CMA1 P23946 1/20 0.40
PLG P00747 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL8423855 0.88 F10 (0.49) F10NPSR1L3MBTL1HTR6DRD2
SCHEMBL2326074 0.86 F10 (0.73) F10F2NPSR1L3MBTL1HTR6
SCHEMBL2361076 0.85 F10 (0.63) F10F2NPSR1L3MBTL1HTR6
SCHEMBL2325700 0.84 F10 (0.65) F10F2HTR6DRD2HTR2A
SCHEMBL2333025 0.83 F10 (0.45) F10F2NPSR1L3MBTL1HTR6
SCHEMBL2328755 0.80 F10 (0.45) F10F2HTR6PLGKEAP1
Trifluoroacetic Acid SCHEMBL2329588 0.80 F10 (0.68) F10F2PLG
SCHEMBL2330391 0.80 F10 (0.44) F10F2HTR6DRD2HTR2A
Trifluoroacetic Acid SCHEMBL2329585 0.80 F10 (0.68) F10F2PLG
SCHEMBL2329019 0.77 F10 (0.44) F10F2PLG

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