SCHEMBL5776747

SCHEMBL5776747

CC(=O)Oc1ccc(OC(C)=O)c(-c2nc(=O)c3ccccc3o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
CD74 P04233 1/20 0.50
MIF P14174 1/20 0.50
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 7/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
KMT2A Q03164 3/20 0.48
GLA P06280 3/20 0.48
MEN1 O00255 2/20 0.48
GAPDH P04406 2/20 0.45
POLB P06746 2/20 0.44
GAA P10253 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 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
SCHEMBL17254784 0.87 PKM (0.54) PKMCD74MIFMAPTALDH1A1
SCHEMBL5773649 0.86 MAOB (0.49) PKMCD74MIFMAPTALDH1A1
SCHEMBL17254774 0.86 PKM (0.57) PKMCD74MIFMAPTALDH1A1
SCHEMBL5921400 0.83 ALDH1A1 (0.69) PKMCD74MIFMAPTALDH1A1
SCHEMBL17254793 0.81 NPC1 (0.52) PKMCD74MIFMAPTALDH1A1
SCHEMBL17254763 0.81 PKM (0.47) PKMCD74MIFMAPTALDH1A1
SCHEMBL5782113 0.81 MAPT (0.69) CD74MIFMAPTALDH1A1LMNA
SCHEMBL17254752 0.79 MAPT (0.48) PKMCD74MIFMAPTALDH1A1
SCHEMBL17254754 0.78 MAOB (0.44) PKMCD74MIFMAPTALDH1A1
SCHEMBL5777065 0.78 MAOB (0.49) PKMCD74MIFMAPTALDH1A1

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