SCHEMBL4628772

SCHEMBL4628772

CCOC(=O)NN=CCc1cc(C(=O)OC)c(NC(C)=O)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 3/20 0.35
KDM4E B2RXH2 2/20 0.35
EPHX2 P34913 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2C9 P11712 1/20 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
SCHEMBL2389292 0.80 ALDH1A1 (0.43) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL2389294 0.80 ALDH1A1 (0.43) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL2390289 0.76 ALDH1A1 (0.38) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL2390292 0.76 ALDH1A1 (0.38) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL2387665 0.76 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL4628023 0.74 EPHX2 (0.40) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL4627801 0.72 TRPV1 (0.39) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL4628938 0.71 EPHX2 (0.38) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL2390059 0.70 CYP1A2 (0.40) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL4627639 0.70 CYP1A2 (0.39) SMN1; SMN2LMNAPOLBALDH1A1HPGD

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