SCHEMBL29620933

SCHEMBL29620933

NC(=NO)c1ncccc1Nc1ncc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.50
SIRT7 Q9NRC8 1/20 0.49
TRPV1 Q8NER1 6/20 0.48
KDR P35968 5/20 0.41
FLT1 P17948 4/20 0.41
FLT4 P35916 4/20 0.41
P2RY1 P47900 1/20 0.41
MAP4K4 O95819 1/20 0.39
NOTUM Q6P988 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DGAT1 O75907 1/20 0.37

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
SCHEMBL29621051 0.88 TRPV1 (0.38) VCPSIRT7TRPV1KDRFLT1
SCHEMBL29620911 0.85 VCP (0.51) VCPSIRT7TRPV1KDRFLT1
SCHEMBL29620906 0.85 DGAT1 (0.43) SIRT7TRPV1KDRFLT1FLT4
SCHEMBL29621026 0.80 MAPT (0.37) MAP4K4NOTUMTP53MAPTRXFP1
SCHEMBL29621015 0.79 P2RY1 (0.37) VCPTRPV1KDRFLT1FLT4
SCHEMBL29620953 0.76 ACHE (0.40) P2RY1
SCHEMBL22925699 0.76 VCP (0.60) VCPSIRT7TRPV1KDRFLT1
SCHEMBL22925695 0.76 VCP (0.51) VCPSIRT7TRPV1KDRFLT1
SCHEMBL29696320 0.76 VCP (0.60) VCPSIRT7TRPV1KDRFLT1
SCHEMBL28733821 0.76 VCP (0.51) VCPSIRT7TRPV1KDRFLT1

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 disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed