SCHEMBL5778505

SCHEMBL5778505

Cc1cccc(-c2nc(=O)c3ccccc3o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
HPGD P15428 6/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 6/20 0.50
NOTUM Q6P988 1/20 0.50
PBRM1 Q86U86 1/20 0.49
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48

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
SCHEMBL7576359 0.89 NPC1 (0.49) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5307439 0.83 NPC1 (0.60) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL30025603 0.82 ELANE (0.58) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7869611 0.82 NPC1 (0.51) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4029088 0.82 ELANE (0.58) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12755083 0.82 NPC1 (0.59) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9616651 0.81 HPGD (0.66) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9616764 0.80 ALDH1A1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL812662 0.80 NPC1 (0.53) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1338759 0.80 NPC1 (0.64) KDM4ENPC1RAB9ASMN1; SMN2HPGD

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 4 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
EP-0502013-A1 USE OF HETEROCYCLIC COMPOUNDS AS BLEACH ACTIVATORS OR OPTICAL LIGHTENERS IN WASHING AND CLEANING AGENTS. BASF AG (DE) 1992-09-09 EP disclosed