SCHEMBL2332098

SCHEMBL2332098

CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccnc(C#N)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.39
F10 P00742 3/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MMP1 P03956 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
FPR2 P25090 1/20 0.37
SRC P12931 1/20 0.37
NSD2 O96028 1/20 0.37
KCNA3 P22001 1/20 0.37
DRD2 P14416 1/20 0.37
PRSS1 P07477 1/20 0.37
NPY1R P25929 1/20 0.36
CTSK P43235 2/20 0.36

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
SCHEMBL4760780 0.83 KMT2A (0.43) F2F10FNTAFNTBPGGT1B
SCHEMBL2332156 0.83 FNTA (0.46) FNTAFNTBPGGT1BKCNH2KCNA3
SCHEMBL2329420 0.82 FNTA (0.49) FNTAFNTBPGGT1BKCNH2GPR119
SCHEMBL7422298 0.82 PRMT5 (0.42) F2F10FNTAFNTBPGGT1B
SCHEMBL30694464 0.82 NSD2 (0.53) NSD2KCNA3DRD2CTSKTBK1
SCHEMBL7539285 0.81 DRD2 (0.40) F2F10FNTAFNTBPGGT1B
SCHEMBL7537265 0.81 DRD2 (0.40) F2F10FNTAFNTBPGGT1B
SCHEMBL7422999 0.81 SRC (0.48) F2F10FNTAFNTBPGGT1B
SCHEMBL24541967 0.80 JAK3 (0.49) NSD2KCNA3DRD2CTSKJAK3
SCHEMBL29718129 0.80 JAK3 (0.49) NSD2KCNA3DRD2CTSKJAK3

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-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US 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