SCHEMBL5778509

SCHEMBL5778509

Cc1cccc(N2CC(=O)c3ccccc3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
CASP6 P55212 1/20 0.52
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
PKM P14618 2/20 0.44
ADRB1 P08588 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.42
MGLL Q99685 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR7 P34969 1/20 0.42
PARP1 P09874 1/20 0.41
VDR P11473 1/20 0.41

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
SCHEMBL21473610 0.77 NPC1 (0.69) MEN1KMT2AGAACASP6MAPT
SCHEMBL29836323 0.73 GRIN2D (0.57) MEN1KMT2AMAPTALDH1A1ADRB1
SCHEMBL28454067 0.73 GRIN2D (0.57) MEN1KMT2AMAPTALDH1A1ADRB1
SCHEMBL13309243 0.73 VDR (0.60) MEN1KMT2AGAACASP6MAPT
SCHEMBL19480168 0.71 GAA (0.47) MEN1KMT2AGAACASP6MAPT
SCHEMBL7810597 0.70 KMT2A (0.46) KMT2AALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL25472677 0.70 NPC1 (0.44) MEN1KMT2AGAACASP6MAPT
SCHEMBL25138674 0.69 MAPT (1.00) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL15307676 0.69 VDR (0.49) MEN1KMT2AGAACASP6MAPT
SCHEMBL10373770 0.68 ADRB1 (0.74) MAPTALDH1A1L3MBTL1NPC1RAB9A

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