SCHEMBL9084296

SCHEMBL9084296

O=C(Nc1ccc(O)c(C(F)(F)F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.85
TRPV1 Q8NER1 11/20 0.69
CA1 P00915 5/20 0.69
CA2 P00918 5/20 0.69
CA7 P43166 5/20 0.69
CA9 Q16790 5/20 0.69
TMPRSS4 Q9NRS4 1/20 0.65
PDK1 Q15118 1/20 0.62
HDAC1 Q13547 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61

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
SCHEMBL9084605 0.93 KDR (0.72) KDRTRPV1CA1CA2CA7
SCHEMBL118026 0.92 KDR (1.00) KDRTRPV1CA1CA2CA7
SCHEMBL29364392 0.92 KDR (1.00) KDRTRPV1CA1CA2CA7
SCHEMBL21751016 0.90 KDR (0.78) KDRTRPV1CA1CA2CA7
SCHEMBL281864 0.88 KDR (0.85) KDRTRPV1CA1CA2CA7
SCHEMBL4548158 0.88 KDR (0.90) KDRTRPV1CA1CA2CA7
SCHEMBL10220062 0.86 KDR (0.88) KDRTRPV1CA1CA2CA7
Cloflucarban SCHEMBL119821 0.86 KDR (0.88) KDRTRPV1CA1CA2CA7
Cloflucarban SCHEMBL27537485 0.86 KDR (0.88) KDRTRPV1CA1CA2CA7
SCHEMBL19677976 0.86 KDR (0.88) KDRTRPV1CA1CA2CA7

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
US-5541224-A ANIMAL FEEDS ELI LILLY AND COMPANY (US) 1996-07-30 US disclosed