SCHEMBL7420430

SCHEMBL7420430

N#Cc1ccc(CN2CC[C@@H](C(N)=O)C2=O)s1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 3/20 0.34
F10 P00742 1/20 0.34
GRM5 P41594 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 2/20 0.32
TNKS O95271 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31
CHRM4 P08173 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7420970 0.82 JAK2 (0.35) KLK6F10GRM5JAK2JAK1
SCHEMBL7429676 0.82 JAK2 (0.35) KLK6F10GRM5JAK2JAK1
Hydrochloric Acid SCHEMBL2325599 0.81 JAK2 (0.34) KLK6F10GRM5JAK2JAK1
SCHEMBL7420434 0.80 JAK2 (0.34) KLK6F10GRM5JAK2JAK1
SCHEMBL27478655 0.80 JAK2 (0.35) KLK6F10GRM5JAK2JAK1
SCHEMBL7416241 0.77 TRPA1 (0.35) KLK6F10SIRT2SIRT1TNKS
SCHEMBL7416690 0.77 SIRT2 (0.34) F10ALDH1A1SIRT2SIRT1TNKS
SCHEMBL7424006 0.77 F10 (0.38) KLK6F10GRM5JAK2JAK1
SCHEMBL7424934 0.76 FNTA (0.44)
SCHEMBL7417088 0.76 CHRNB2 (0.34) F10ALDH1A1SIRT2SIRT1TNKS

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