SCHEMBL5776060

SCHEMBL5776060

CC(=O)Oc1ccccc1-c1nc(=O)c2cc(Cl)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.50
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
C1R P00736 2/20 0.42

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
SCHEMBL5776241 0.91 ELANE (0.53) ELANEMAOBNPC1RAB9AALDH1A1
SCHEMBL5778774 0.87 MAOB (0.61) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL17254784 0.87 PKM (0.54) MAOBNPC1RAB9AALDH1A1KDM4E
SCHEMBL5777065 0.87 MAOB (0.49) ELANEMAOBNPC1RAB9AALDH1A1
SCHEMBL5773649 0.87 MAOB (0.49) MAOBNPC1RAB9AALDH1A1KDM4E
SCHEMBL5776281 0.84 NPC1 (0.52) MAOBNPC1RAB9AALDH1A1KDM4E
SCHEMBL5921767 0.83 C1R (0.63) ELANENPC1RAB9AALDH1A1KDM4E
SCHEMBL5779985 0.81 ELANE (0.77) ELANEALDH1A1KDM4EPKMMAPT
SCHEMBL6469479 0.79 MAOA (0.59) MAOANPC1RAB9AALDH1A1KDM4E
SCHEMBL5777971 0.78 ELANE (0.46) ELANEMAOBNPC1RAB9AALDH1A1

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