SCHEMBL2329293

SCHEMBL2329293

CC(C)(C)OC(=O)N[C@H]1CN(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
BRD4 O60885 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
RORC P51449 6/20 0.42
SCN9A Q15858 3/20 0.42
DRD2 P14416 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPY1R P25929 1/20 0.40
FAAH O00519 1/20 0.39
RIPK1 Q13546 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL2332156 0.90 FNTA (0.46) SIRT2SIRT1BRD4KDM4DRORC
SCHEMBL2327098 0.88 NPY1R (0.45) SIRT2SIRT1BRD4KDM4DDRD2
SCHEMBL2331147 0.88 NPY1R (0.49) BRD4KDM4DDRD2FNTAFNTB
SCHEMBL2330939 0.85 RORC (0.46) SIRT2SIRT1BRD4KDM4DRORC
SCHEMBL2325330 0.85 NPY1R (0.45) SIRT2SIRT1BRD4KDM4DRORC
SCHEMBL7422293 0.80 BRD4 (0.50) SIRT2SIRT1BRD4RORCFAAH
SCHEMBL2096599 0.78 KMT2A (0.66) BRD4KDM4DRORCDRD2KMT2A
SCHEMBL2096601 0.78 KMT2A (0.66) BRD4KDM4DRORCDRD2KMT2A
SCHEMBL2329420 0.77 FNTA (0.49) KDM4DDRD2FNTAFNTBPGGT1B
SCHEMBL7718989 0.75 NPY1R (0.45) BRD4SCN9AKMT2AL3MBTL1NPY1R

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