SCHEMBL29620906

SCHEMBL29620906

NC(=NO)c1ncccc1Nc1ncc(-c2ccc(C3CC3)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
TRPV1 Q8NER1 13/20 0.41
KDR P35968 4/20 0.39
FLT1 P17948 3/20 0.38
FLT4 P35916 3/20 0.38
P2RY1 P47900 1/20 0.38
SIRT7 Q9NRC8 1/20 0.36

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
SCHEMBL29620903 0.89 DGAT1 (0.36) DGAT1TRPV1KDRFLT1FLT4
SCHEMBL29620933 0.85 VCP (0.50) DGAT1TRPV1KDRFLT1FLT4
SCHEMBL28733870 0.78 VCP (0.42) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL29696312 0.78 VCP (0.42) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL22925677 0.78 VCP (0.42) DGAT1KDRFLT1FLT4SIRT7
SCHEMBL29621015 0.76 P2RY1 (0.37) TRPV1KDRFLT1FLT4P2RY1
SCHEMBL29621051 0.76 TRPV1 (0.38) DGAT1TRPV1KDRFLT1FLT4
SCHEMBL29620995 0.72 ALOX5 (0.45) TRPV1KDRFLT1FLT4P2RY1
SCHEMBL29620911 0.70 VCP (0.51) DGAT1TRPV1KDRFLT1FLT4
SCHEMBL31013395 0.70 TRPV1 (0.58) DGAT1TRPV1KDRFLT1FLT4

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