SCHEMBL29620925

SCHEMBL29620925

CNC(=O)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ VCP P55072 3/20 0.41
▸ FLT1 P17948 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ RPS6KA1 Q15418 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ DGAT1 O75907 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ EGLN1 Q9GZT9 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
SCHEMBL22925668 0.86 TRPV1 (0.46) TRPV1ALOX5VCPFLT1KDR
SCHEMBL28733660 0.82 TRPV1 (0.51) TRPV1ALOX5VCPDGAT1KIT
SCHEMBL29696350 0.82 TRPV1 (0.48) TRPV1ALOX5VCPFLT1KDR
SCHEMBL22925745 0.82 TRPV1 (0.48) TRPV1ALOX5VCPFLT1KDR
SCHEMBL24637048 0.81 ALOX5 (0.55) TRPV1ALOX5VCPFLT1KDR
SCHEMBL22925577 0.80 ALOX5 (0.53) TRPV1ALOX5FLT1KDRDGAT1
SCHEMBL22925665 0.80 FLT1 (0.50) TRPV1ALOX5VCPFLT1KDR
SCHEMBL29696294 0.80 FLT1 (0.50) TRPV1ALOX5VCPFLT1KDR
SCHEMBL22925664 0.79 FLT1 (0.52) TRPV1ALOX5VCPFLT1KDR
SCHEMBL29621056 0.79 FLT1 (0.52) TRPV1ALOX5VCPFLT1KDR

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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