Sugi Predict

Sugi Predict / Compounds / Benzoylenurea

Benzoylenurea

Benzoylenurea

SCHEMBL15949068

CC(C)O[C@@H](C)c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F.O=c1[nH]c(=O)c2ccccc2[nH]1

nearest known ligand 0.48

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ DDR1 Q08345 3/20 0.30
▸ ELANE P08246 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
Benzoylenurea SCHEMBL15949069 1.00 PARP1 (0.35) PARP1KDM4ECA12CA9L3MBTL1
Benzoylenurea SCHEMBL15948986 1.00 PARP1 (0.35) PARP1KDM4ECA12CA9L3MBTL1
SCHEMBL15184732 0.89 CA12 (0.35) CA12CA9DDR1
SCHEMBL1661036 0.89 CA12 (0.35) CA12CA9DDR1
SCHEMBL15184766 0.89 CA12 (0.35) CA12CA9DDR1
SCHEMBL1660919 0.80 CA12 (0.35) KDM4ECA12CA9DDR1
SCHEMBL12180420 0.79 AR (0.35) CA12CA9DDR1
SCHEMBL12180408 0.78 KDM4E (0.36) KDM4EDDR1ELANE
SCHEMBL1661057 0.78 AR (0.36) CA12CA9DDR1
SCHEMBL957862 0.78 AR (0.38) KDM4ECA12CA9DDR1

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
EP-2468732-B1 1H-Quinazoline-2,4-diones NOVARTIS AG (CH) 2014-08-20 — — EP claimed