SCHEMBL29696295

SCHEMBL29696295

NC(=NO)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)c(F)c3)o2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.42
▸ KDR P35968 5/20 0.40
▸ FLT1 P17948 4/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ RPS6KA1 Q15418 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ KIF11 P52732 4/20 0.38
▸ VCP P55072 7/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ SIRT7 Q9NRC8 1/20 0.34
▸ FLT4 P35916 3/20 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
SCHEMBL22925782 1.00 ALOX5 (0.42) ALOX5KDRFLT1PRKAB2LCK
SCHEMBL29696350 0.86 TRPV1 (0.48) ALOX5KDRFLT1PRKAB2LCK
SCHEMBL22925745 0.86 TRPV1 (0.48) ALOX5KDRFLT1PRKAB2LCK
SCHEMBL28733743 0.85 ALOX5 (0.41) ALOX5KDRFLT1PRKAB2LCK
SCHEMBL29620998 0.85 ALOX5 (0.41) ALOX5KDRFLT1PRKAB2LCK
SCHEMBL22925963 0.85 ALOX5 (0.41) ALOX5KDRFLT1PRKAB2LCK
SCHEMBL22925796 0.81 IMPDH2 (0.39) ALOX5KDRFLT1VCPFLT4
SCHEMBL29696291 0.81 IMPDH2 (0.39) ALOX5KDRFLT1VCPFLT4
SCHEMBL22925757 0.79 NPSR1 (0.40) ALOX5KDRFLT1PRKAB2LCK
Hydrochloric Acid SCHEMBL29696306 0.78 NPSR1 (0.40) ALOX5KDRFLT1PRKAB2LCK

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