SCHEMBL5776281

SCHEMBL5776281

CC(=O)Nc1ccc2oc(-c3ccccc3OC(C)=O)nc(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 2/20 0.47
PIM1 P11309 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
MAOB P27338 1/20 0.46
CASP3 P42574 1/20 0.45

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
SCHEMBL5778774 0.84 MAOB (0.61) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5777065 0.84 MAOB (0.49) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL17254784 0.84 PKM (0.54) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5773649 0.84 MAOB (0.49) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5921437 0.84 MEN1 (0.55) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5776060 0.84 ELANE (0.50) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5776241 0.77 ELANE (0.53) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5776747 0.74 PKM (0.52) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL17254763 0.72 PKM (0.47) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5777971 0.71 ELANE (0.46) NPC1RAB9AMAPTKDM4EALDH1A1

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-1558260-A4 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2006-10-25 EP disclosed
EP-1558260-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2005-08-03 EP disclosed
WO-2004041755-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2004-05-21 WO disclosed