SCHEMBL5314883

SCHEMBL5314883

O=C(NC(=O)N(CCOC1CCCCO1)c1ccc(SC(F)(F)F)cc1F)c1c(F)cccc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
CASR P41180 1/20 0.30

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
SCHEMBL5313488 0.85 MEN1 (0.33) MEN1KMT2AL3MBTL1KDM4C
SCHEMBL5314730 0.83 KMT2A (0.36) MEN1KMT2ARXFP1
SCHEMBL5314313 0.80 TRPA1 (0.34) MEN1KMT2A
SCHEMBL4160284 0.77 TRPA1 (0.39) MEN1KMT2ARXFP1
SCHEMBL5312106 0.76 TRPA1 (0.35) MEN1KMT2ARXFP1
SCHEMBL5318426 0.76 TRPA1 (0.34)
SCHEMBL5314653 0.75 TRPA1 (0.36) MEN1KMT2ARXFP1
SCHEMBL5316923 0.75 TRPA1 (0.36) MEN1KMT2ARXFP1
SCHEMBL4158996 0.72 TRPA1 (0.34) MEN1KMT2ARXFP1
SCHEMBL5389734 0.71 TLR7 (0.39)

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