SCHEMBL2326541

SCHEMBL2326541

CC(C)(C)OC(=O)NC1CCN(Cc2ccc(C#N)o2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
KCNA3 P22001 1/20 0.39
F10 P00742 2/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSK P43235 2/20 0.38
GAA P10253 1/20 0.37
DRD2 P14416 1/20 0.36
CSF1R P07333 2/20 0.36
KDM4D Q6B0I6 4/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
KCNH2 Q12809 1/20 0.35
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 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
SCHEMBL2332777 0.81 F10 (0.38) FPR2KCNA3F10F2PRSS1
SCHEMBL2329420 0.81 FNTA (0.49) FPR2KCNA3DRD2KDM4DKMT2A
SCHEMBL2331612 0.80 F10 (0.42) FPR2KCNA3F10F2PRSS1
SCHEMBL7540139 0.78 CTSK (0.47) FPR2KCNA3F10F2PRSS1
SCHEMBL30877523 0.78 CTSK (0.47) FPR2KCNA3F10F2PRSS1
SCHEMBL2332156 0.77 FNTA (0.46) KCNA3DRD2KDM4DKMT2AL3MBTL1
SCHEMBL2325196 0.77 F2 (0.40) FPR2KCNA3F10F2PRSS1
SCHEMBL7927436 0.76 KMT2A (0.56) FPR2KCNA3KMT2AL3MBTL1
SCHEMBL7936884 0.76 KMT2A (0.56) FPR2KCNA3KMT2AL3MBTL1
SCHEMBL6818563 0.76 KMT2A (0.56) FPR2KCNA3KMT2AL3MBTL1

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