SCHEMBL8650946

SCHEMBL8650946

CS(=O)(=O)c1ccccc1/C=C(/C(=O)NC(=N)N)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
SARM1 Q6SZW1 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
SIRT4 Q9Y6E7 1/20 0.38
PTGS2 P35354 2/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.35
F10 P00742 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1B1 Q16678 1/20 0.35
PLOD2 O00469 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL8650926 0.87 ATM (0.39) F7F3SARM1SIRT2SIRT6
SCHEMBL8646247 0.86 MAPT (0.46) F7F3SARM1SIRT2SIRT6
SCHEMBL8648666 0.86 ALDH1A1 (0.38) F7F3SARM1SIRT2SIRT6
SCHEMBL8647149 0.85 CYP1A1 (0.50) ALDH1A1CYP3A4CYP1A1CYP1A2CYP2D6
SCHEMBL8649037 0.84 ATM (0.42) F7F3SARM1SIRT2SIRT6
SCHEMBL8648196 0.84 HDAC1 (0.46) F7F3SARM1SIRT2SIRT6
SCHEMBL8650927 0.84 NPC1 (0.45) F7F3SARM1SIRT2SIRT6
SCHEMBL8643120 0.82 MAPT (0.51) F7F3SARM1SIRT2SIRT6
SCHEMBL8644182 0.82 F7 (0.41) F7F3SARM1SIRT2SIRT6
SCHEMBL8650842 0.82 PTGS2 (0.46) PTGS2ALDH1A1CYP3A4CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861831-A1 HETEROARYL-SUBSTITUTED ACRYLOYLGUANIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-09-02 EP disclosed