SCHEMBL5312166

SCHEMBL5312166

COCN(C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1F)C(=O)c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.39
CA2 P00918 12/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA9 Q16790 2/20 0.37
RORC P51449 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
EPAS1 Q99814 1/20 0.36
LMNA P02545 1/20 0.36
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5313291 0.83 SCN9A (0.44) KMT2ARORCHTTALDH1A1
SCHEMBL5315683 0.81 KMT2A (0.47) MEN1KMT2ARXFP1LMNAALDH1A1
SCHEMBL5315021 0.79 HTT (0.37) MEN1KMT2AHTTALDH1A1
SCHEMBL5318473 0.79 HTT (0.37) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL5311739 0.79 ALDH1A1 (0.36) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL5335591 0.79 HTT (0.34) MEN1KMT2AHTTALDH1A1
SCHEMBL5315879 0.79 HTT (0.34) MEN1KMT2AHTT
SCHEMBL5336323 0.78 HTT (0.32) HTT
SCHEMBL5314296 0.78 ALDH1A1 (0.35) KMT2ARORCHTTLMNAALDH1A1
SCHEMBL5318469 0.77 SMN1; SMN2 (0.36) MEN1KMT2AHTTLMNAALDH1A1

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
WO-2007066496-A1 BENZOYLUREA COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 WO disclosed