SCHEMBL28733745

SCHEMBL28733745

NC(=O)c1c(O)cnc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.47
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ FLT1 P17948 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ RPS6KA1 Q15418 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ VCP P55072 2/20 0.37

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
SCHEMBL29620896 0.80 TRPV1 (0.52) TRPV1HDAC1HDAC6DGAT1ALOX5
SCHEMBL29620901 0.75 TRPV1 (0.54) TRPV1ALOX5FLT1KDRVCP
SCHEMBL22925839 0.75 KMT2A (0.52) TRPV1DGAT1ALOX5FLT1KDR
SCHEMBL22925556 0.74 TRPV1 (0.55) TRPV1DGAT1ALOX5FLT1KDR
SCHEMBL31013395 0.73 TRPV1 (0.58) TRPV1HDAC1HDAC6DGAT1FLT1
SCHEMBL28733726 0.72 TRPV1 (0.52) TRPV1HDAC1HDAC6DGAT1ALOX5
SCHEMBL23540014 0.72 VCP (0.69) TRPV1ALOX5FLT1KDRPRKAB2
SCHEMBL29620938 0.72 TRPV1 (0.48) TRPV1HDAC1HDAC6DGAT1ALOX5
SCHEMBL22925571 0.71 TRPV1 (0.49) TRPV1DGAT1ALOX5FLT1KDR
SCHEMBL22925673 0.70 TRPV1 (0.59) TRPV1ALOX5FLT1KDRVCP

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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