SCHEMBL29696286

SCHEMBL29696286

NC(=NO)c1cnc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.51
SIRT7 Q9NRC8 1/20 0.47
MAP4K4 O95819 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDR P35968 6/20 0.40
NOTUM Q6P988 1/20 0.39
FLT1 P17948 5/20 0.37
FLT4 P35916 4/20 0.37
DGAT1 O75907 1/20 0.36
ALOX5 P09917 1/20 0.35
PRKAB2 O43741 1/20 0.33
LCK P06239 1/20 0.33
SRC P12931 1/20 0.33
FLT3 P36888 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33

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
SCHEMBL22925695 1.00 VCP (0.51) VCPSIRT7MAP4K4TRPV1KDR
SCHEMBL28733821 1.00 VCP (0.51) VCPSIRT7MAP4K4TRPV1KDR
SCHEMBL29696303 0.86 VCP (0.36) VCPSIRT7KDRF10
SCHEMBL28733824 0.86 VCP (0.36) VCPSIRT7KDRF10
SCHEMBL22925734 0.86 VCP (0.36) VCPSIRT7KDRF10
SCHEMBL22925696 0.86 VCP (0.36) VCPSIRT7KDRF10
SCHEMBL22925595 0.85 TRPV1 (0.46) VCPSIRT7TRPV1KDRFLT1
SCHEMBL28733706 0.85 TRPV1 (0.46) VCPSIRT7TRPV1KDRFLT1
SCHEMBL22925699 0.84 VCP (0.60) VCPSIRT7MAP4K4TRPV1KDR
SCHEMBL29696320 0.84 VCP (0.60) VCPSIRT7MAP4K4TRPV1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN claimed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed