Sugi Predict

Sugi Predict / Compounds / SCHEMBL9942848

SCHEMBL9942848

SCHEMBL9942848

CSNn1c(=O)[nH]c2cc(C(F)(F)F)c(C(C)OC(C)C)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ AR P10275 6/20 0.35
▸ DDR1 Q08345 1/20 0.31
▸ MPO P05164 1/20 0.31
▸ XDH P47989 1/20 0.31

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
SCHEMBL9942853 0.86 AR (0.35) CA12CA9ARDDR1
SCHEMBL9942836 0.86 AR (0.36) CA12CA9ARDDR1
SCHEMBL9942861 0.85 AR (0.37) CA12CA9ARDDR1
SCHEMBL9942847 0.85 CA12 (0.40) CA12CA9ARDDR1MPO
SCHEMBL9942855 0.85 KDM4E (0.33) CA12CA9AR
SCHEMBL15184766 0.84 CA12 (0.35) CA12CA9ARDDR1MPO
SCHEMBL15184732 0.84 CA12 (0.35) CA12CA9ARDDR1MPO
SCHEMBL1661036 0.84 CA12 (0.35) CA12CA9ARDDR1MPO
SCHEMBL9942831 0.83 CA12 (0.38) CA12CA9ARDDR1MPO
SCHEMBL12530352 0.80 CA12 (0.40) CA12CA9ARMPOXDH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476671-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-07-18 — — EP disclosed
EP-2468732-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-06-27 — — EP disclosed
EP-2463278-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (CH) 2012-06-13 — — EP disclosed