SCHEMBL4627730

SCHEMBL4627730

COCCc1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 9/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
AR P10275 2/20 0.34

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
SCHEMBL4627637 0.90 DDR1 (0.37) DDR1AR
SCHEMBL3559199 0.89 DDR1 (0.36) DDR1CA12CA9AR
SCHEMBL4627649 0.87 CA12 (0.38) DDR1CA12CA9AR
SCHEMBL4628111 0.86 DDR1 (0.36) DDR1AR
SCHEMBL1661288 0.85 DDR1 (0.37) DDR1CA12CA9AR
SCHEMBL4628778 0.85 TSHR (0.36) DDR1KDM4EALDH1A1CA12CA9
SCHEMBL2391466 0.84 DDR1 (0.38) DDR1CA12CA9AR
SCHEMBL2390017 0.84 DDR1 (0.38) DDR1CA12CA9AR
SCHEMBL4628707 0.84 DDR1 (0.37) DDR1CA12CA9AR
SCHEMBL2389856 0.82 MPO (0.36) KDM4EALDH1A1GLAGAAPKM

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