SCHEMBL14775994

SCHEMBL14775994

COc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2NC2CN(C(=O)O)C2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
PPARA Q07869 1/20 0.48
APEX1 P27695 1/20 0.46
APP P05067 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL100763 0.90 NPC1 (0.48) NPC1PKMRAB9APPARAAPEX1
SCHEMBL2684459 0.86 NPC1 (0.52) NPC1PKMRAB9APPARAAPEX1
SCHEMBL135445 0.85 NPC1 (0.49) NPC1PKMRAB9APPARAAPEX1
SCHEMBL2684347 0.79 PPARA (0.56) NPC1PKMRAB9APPARAAPEX1
SCHEMBL474201 0.76 NPC1 (0.45) NPC1PKMRAB9APPARAAPEX1
SCHEMBL173190 0.74 NPC1 (0.44) NPC1PKMRAB9APPARAAPEX1
SCHEMBL2684142 0.73 NPC1 (0.55) NPC1PKMRAB9AAPEX1SMN1; SMN2
SCHEMBL6946494 0.73 NPC1 (0.49) NPC1PKMRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6946491 0.73 NPC1 (0.49) NPC1PKMRAB9ASMN1; SMN2ALDH1A1
SCHEMBL474209 0.72 CACNA1B (0.45) ALDH1A1HPGDGAAKDM4EMAPT

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-2205593-B1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-01-13 EP disclosed
EP-2416777-B1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI SA (FR) 2014-11-12 EP disclosed
EP-2411009-B1 Therapeutic uses of quinazolinedione derivatives SANOFI SA (FR) 2013-03-20 EP disclosed