SCHEMBL4627698

SCHEMBL4627698

NS(=O)(=O)Cn1c(=O)[nH]c2cc(C(F)(F)F)c(-c3cccc(CCO)c3)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 12/20 0.36
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
S1PR1 P21453 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TRPV1 Q8NER1 1/20 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
SCHEMBL3558723 0.84 DDR1 (0.39) DDR1
SCHEMBL2390743 0.73 BRD4 (0.36) DDR1CA12CA9
Hydrochloric Acid SCHEMBL2390612 0.72 BRD4 (0.36) DDR1CA12CA9
SCHEMBL2389228 0.70 NMT1 (0.41) DDR1
SCHEMBL9942859 0.67 PDE3B (0.38) DDR1CA12CA9
SCHEMBL2390375 0.67 PTPN5 (0.34) DDR1CA12CA9
SCHEMBL1692741 0.66 DDR1 (0.40) DDR1
SCHEMBL2391399 0.65 AKR1C3 (0.42) CA12CA9ALDH1A1
SCHEMBL2388783 0.64 DDR1 (0.40) DDR1
SCHEMBL9942854 0.64 HAVCR2 (0.39) CA12CA9

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