SCHEMBL5773649

SCHEMBL5773649

CC(=O)Oc1ccccc1-c1nc(=O)c2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
C1R P00736 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PKM P14618 1/20 0.46
HSP90AA1 P07900 2/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 3/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 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
SCHEMBL5777065 0.88 MAOB (0.49) MAOBC1RMEN1KMT2ANPC1
SCHEMBL17254784 0.88 PKM (0.54) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL5778774 0.88 MAOB (0.61) MAOBC1RMEN1KMT2ANPC1
SCHEMBL5776060 0.87 ELANE (0.50) MAOBC1RMEN1KMT2ANPC1
SCHEMBL5776241 0.87 ELANE (0.53) MAOBC1RMEN1KMT2ANPC1
SCHEMBL5776747 0.86 PKM (0.52) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL5776281 0.84 NPC1 (0.52) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL17254763 0.84 PKM (0.47) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL5777971 0.83 ELANE (0.46) MAOBC1RMEN1KMT2ANPC1
SCHEMBL5778141 0.81 C1R (0.73) C1RMEN1KMT2ANPC1RAB9A

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