SCHEMBL4628778

SCHEMBL4628778

CC(C)OCCCc1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
DDR1 Q08345 11/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32

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
SCHEMBL3559199 0.94 DDR1 (0.36) TSHRDDR1CA12CA9
SCHEMBL4628111 0.87 DDR1 (0.36) DDR1
SCHEMBL1661288 0.85 DDR1 (0.37) DDR1CA12CA9
SCHEMBL4627730 0.85 DDR1 (0.37) DDR1KDM4EALDH1A1CA12CA9
SCHEMBL4628707 0.84 DDR1 (0.37) DDR1CA12CA9
SCHEMBL4627637 0.83 DDR1 (0.37) DDR1
SCHEMBL4627649 0.83 CA12 (0.38) DDR1CA12CA9
SCHEMBL2391466 0.80 DDR1 (0.38) DDR1CA12CA9
SCHEMBL2390017 0.80 DDR1 (0.38) DDR1CA12CA9
SCHEMBL1661310 0.80 AR (0.35) DDR1KDM4EALDH1A1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871749-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (US) 2008-01-02 EP disclosed
WO-2006108591-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS NOVARTIS AG (CH) 2006-10-19 WO disclosed