SCHEMBL28733707

SCHEMBL28733707

FC(F)(F)c1ccc(-c2cnc(Nc3cccnc3)o2)cc1.NNC(=O)NN

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.55
▸ EPHX2 P34913 2/20 0.46
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ KDR P35968 2/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ SIRT7 Q9NRC8 1/20 0.43
▸ KIF11 P52732 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ VCP P55072 1/20 0.40
▸ IMPDH2 P12268 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL22925617 0.79 VCP (0.46) TRPV1KDRFLT1FLT4VCP
SCHEMBL29621008 0.77 TRPV1 (0.56) TRPV1KDRHDAC6
SCHEMBL22925839 0.76 KMT2A (0.52) TRPV1KDRFLT1FLT4KIF11
SCHEMBL22925576 0.75 TRPV1 (0.47) TRPV1KDRFLT1FLT4VCP
SCHEMBL5319106 0.75 SIRT7 (0.64) TRPV1PIK3CAPIK3CGKDRFLT1
SCHEMBL31013395 0.74 TRPV1 (0.58) TRPV1KDRFLT1FLT4HDAC6
SCHEMBL22925571 0.74 TRPV1 (0.49) TRPV1KDRFLT1FLT4VCP
SCHEMBL14057525 0.74 TRPV1 (0.66) TRPV1KDRFLT1FLT4SIRT7
SCHEMBL22925621 0.74 ALOX5 (0.51) TRPV1KDRFLT1FLT4VCP
SCHEMBL22925652 0.74 TRPV1 (0.50) TRPV1KDRFLT1FLT4SIRT7

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
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