SCHEMBL28733672

SCHEMBL28733672

N=C(NO)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.50
▸ ALOX5 P09917 1/20 0.45
▸ KDR P35968 3/20 0.43
▸ FLT1 P17948 2/20 0.43
▸ FLT4 P35916 2/20 0.43
▸ VCP P55072 4/20 0.43
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ DGAT1 O75907 1/20 0.38

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
SCHEMBL22925691 0.87 TRPV1 (0.51) TRPV1ALOX5KDRFLT1FLT4
SCHEMBL28733714 0.86 TRPV1 (0.37) TRPV1ALOX5KDRFLT1FLT4
SCHEMBL22925497 0.86 TRPV1 (0.48) TRPV1ALOX5KDRFLT1FLT4
SCHEMBL29696323 0.86 TRPV1 (0.48) TRPV1ALOX5KDRFLT1FLT4
SCHEMBL22925566 0.86 TRPV1 (0.47) TRPV1ALOX5KDRFLT1FLT4
SCHEMBL22925571 0.83 TRPV1 (0.49) TRPV1ALOX5KDRFLT1FLT4
SCHEMBL28939277 0.82 TRPV1 (0.51) TRPV1ALOX5KDRFLT1FLT4
SCHEMBL22925569 0.81 TRPV1 (0.47) TRPV1ALOX5KDRFLT1FLT4
SCHEMBL22925592 0.81 TRPV1 (0.47) TRPV1ALOX5KDRFLT1FLT4
SCHEMBL28733675 0.81 TRPV1 (0.47) TRPV1ALOX5KDRFLT1FLT4

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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