SCHEMBL28939281

SCHEMBL28939281

NC(=NO)c1cnc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.47
▸ DGAT1 O75907 1/20 0.37
▸ VCP P55072 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ KIT P10721 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ SIRT7 Q9NRC8 1/20 0.34

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
SCHEMBL22925710 1.00 TRPV1 (0.47) TRPV1DGAT1VCPALOX5KIT
SCHEMBL22925942 1.00 TRPV1 (0.47) TRPV1DGAT1VCPALOX5KIT
SCHEMBL22926117 0.87 TRPV1 (0.45) TRPV1DGAT1VCPALOX5KIT
Hydrochloric Acid SCHEMBL31707411 0.86 TRPV1 (0.45) TRPV1DGAT1VCPALOX5KIT
SCHEMBL22925713 0.85 HDAC1 (0.44) TRPV1VCPALOX5KDRFLT1
SCHEMBL22925717 0.85 HDAC1 (0.44) TRPV1VCPALOX5KDRFLT1
SCHEMBL28733675 0.82 TRPV1 (0.47) TRPV1DGAT1VCPALOX5KDR
SCHEMBL22925592 0.82 TRPV1 (0.47) TRPV1DGAT1VCPALOX5KDR
SCHEMBL28939277 0.81 TRPV1 (0.51) TRPV1DGAT1VCPALOX5KDR
SCHEMBL22925769 0.80 TRPV1 (0.45) TRPV1VCPALOX5KDRFLT1

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 claimed
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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