SCHEMBL29620995

SCHEMBL29620995

NC(=NO)c1nnccc1Nc1ncc(-c2ccc(F)cc2)o1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
KDR P35968 7/20 0.40
FLT1 P17948 5/20 0.40
FLT4 P35916 5/20 0.40
TRPV1 Q8NER1 8/20 0.36
VCP P55072 2/20 0.36
P2RY1 P47900 1/20 0.33
SIRT7 Q9NRC8 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
SCHEMBL29620939 0.89 ALOX5 (0.36) ALOX5KDRFLT1FLT4TRPV1
SCHEMBL29620992 0.87 ALOX5 (0.32) ALOX5
SCHEMBL28733644 0.76 ALOX5 (0.46) ALOX5KDRFLT1FLT4TRPV1
SCHEMBL22925708 0.76 ALOX5 (0.46) ALOX5KDRFLT1FLT4TRPV1
SCHEMBL29620933 0.76 VCP (0.50) KDRFLT1FLT4TRPV1VCP
SCHEMBL29621015 0.75 P2RY1 (0.37) ALOX5KDRFLT1FLT4TRPV1
SCHEMBL29620906 0.72 DGAT1 (0.43) KDRFLT1FLT4TRPV1P2RY1
SCHEMBL29620911 0.70 VCP (0.51) ALOX5KDRFLT1FLT4TRPV1
SCHEMBL22925745 0.67 TRPV1 (0.48) ALOX5KDRFLT1FLT4TRPV1
SCHEMBL22925592 0.67 TRPV1 (0.47) ALOX5KDRFLT1FLT4TRPV1

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