SCHEMBL28939277

SCHEMBL28939277

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.51
▸ HDAC1 Q13547 7/20 0.41
▸ HDAC6 Q9UBN7 6/20 0.41
▸ HDAC3 O15379 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ VCP P55072 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ ALOX5 P09917 1/20 0.38

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
SCHEMBL22925691 0.86 TRPV1 (0.51) TRPV1HDAC1HDAC6VCPFLT1
SCHEMBL28733672 0.82 TRPV1 (0.50) TRPV1HDAC1HDAC6DGAT1VCP
SCHEMBL22925710 0.81 TRPV1 (0.47) TRPV1HDAC1HDAC6DGAT1VCP
SCHEMBL22925942 0.81 TRPV1 (0.47) TRPV1HDAC1HDAC6DGAT1VCP
SCHEMBL28939281 0.81 TRPV1 (0.47) TRPV1HDAC1HDAC6DGAT1VCP
SCHEMBL22925497 0.81 TRPV1 (0.48) TRPV1HDAC1HDAC6DGAT1VCP
SCHEMBL29696323 0.81 TRPV1 (0.48) TRPV1HDAC1HDAC6DGAT1VCP
SCHEMBL28733704 0.81 TRPV1 (0.48) TRPV1HDAC1HDAC6DGAT1VCP
SCHEMBL24637017 0.80 TRPV1 (0.48) TRPV1HDAC1HDAC6DGAT1VCP
SCHEMBL29620882 0.79 TRPV1 (0.57) TRPV1HDAC1HDAC6DGAT1FLT1

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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