SCHEMBL7416690

SCHEMBL7416690

N#Cc1csc(CN2CC[C@@H](C(N)=O)C2=O)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
ITGB2 P05107 2/20 0.30
ICAM1 P05362 2/20 0.30
ITGAL P20701 2/20 0.30
PLAT P00750 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL7420001 0.83 DPP4 (0.33) F2F10ALDH1A1
SCHEMBL7424915 0.83 DPP4 (0.33) F2F10ALDH1A1
Hydrochloric Acid SCHEMBL2325384 0.81 DPP4 (0.32) F2F10ALDH1A1
SCHEMBL7417120 0.81 KCNH2 (0.34) F2F10
SCHEMBL27493929 0.80 FNTA (0.31) ALDH1A1
SCHEMBL7416241 0.79 TRPA1 (0.35) SIRT2SIRT1F2F10TNKS
SCHEMBL7424934 0.78 FNTA (0.44)
SCHEMBL7420430 0.77 KLK6 (0.34) SIRT2SIRT1F10ALDH1A1TNKS
SCHEMBL7416692 0.77 F10 (0.37) F2F10ALDH1A1PLAT
SCHEMBL7426687 0.76 SIRT2 (0.55) SIRT2SIRT1HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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