SCHEMBL29621011

SCHEMBL29621011

O=C(O)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.60
▸ VCP P55072 5/20 0.51
▸ P4HTM Q9NXG6 4/20 0.51
▸ KDR P35968 7/20 0.50
▸ FLT1 P17948 6/20 0.50
▸ FLT4 P35916 5/20 0.50
▸ ROCK1 Q13464 1/20 0.44
▸ PRKAB2 O43741 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ RPS6KA1 Q15418 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ PRKAG3 Q9UGI9 1/20 0.43
▸ PRKAG2 Q9UGJ0 1/20 0.43
▸ PRKAB1 Q9Y478 1/20 0.43
▸ DGAT1 O75907 1/20 0.43

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
SCHEMBL22926099 1.00 ALOX5 (0.60) ALOX5VCPP4HTMKDRFLT1
SCHEMBL28733778 0.89 VCP (0.64) ALOX5VCPP4HTMKDRFLT1
SCHEMBL22925943 0.88 VCP (0.50) ALOX5VCPP4HTMKDRFLT1
SCHEMBL29620955 0.88 VCP (0.50) ALOX5VCPP4HTMKDRFLT1
SCHEMBL22925576 0.88 TRPV1 (0.47) ALOX5VCPP4HTMKDRFLT1
SCHEMBL22926098 0.86 ALOX5 (0.57) ALOX5VCPKDRFLT1FLT4
SCHEMBL29696302 0.86 ALOX5 (0.57) ALOX5VCPKDRFLT1FLT4
SCHEMBL21303720 0.86 ALOX5 (0.58) ALOX5VCPKDRFLT1FLT4
SCHEMBL22925871 0.83 VCP (0.46) ALOX5VCPP4HTMKDRFLT1
SCHEMBL29620878 0.83 VCP (0.46) ALOX5VCPP4HTMKDRFLT1

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 3 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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
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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