SCHEMBL5779386

SCHEMBL5779386

O=C1CN(c2cccs2)Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 2/20 0.40
KCNN4 O15554 1/20 0.40
KCNA3 P22001 1/20 0.40
PKM P14618 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CYP2A6 P11509 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.35
BCHE P06276 1/20 0.34

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
SCHEMBL7810597 0.73 KMT2A (0.46) KMT2AKDM4EPKMSMN1; SMN2MAOA
SCHEMBL5781689 0.68 KMT2A (0.41) KMT2AMAPTKDM4EPKMSMN1; SMN2
SCHEMBL15571974 0.67 BCAT2 (0.49) KMT2AMAPTKDM4EPKMNFKB1
SCHEMBL606359 0.66 KMT2A (0.49) KMT2AMAPTKDM4EHPGDALDH1A1
SCHEMBL31231930 0.66 KMT2A (0.49) KMT2AMAPTKDM4EHPGDALDH1A1
SCHEMBL3670094 0.66 KMT2A (0.50) KMT2AKDM4EPKMSMN1; SMN2MAOA
SCHEMBL2635747 0.66
SCHEMBL21047744 0.66 NR1I2 (0.35) MAPTPKMRAB9ANPC1ALDH1A1
SCHEMBL5778509 0.66 MEN1 (0.52) KMT2AMAPTKDM4EPKMRAB9A
SCHEMBL3969293 0.66 MAPT (0.31) KMT2AMAPTSMN1; SMN2ALDH1A1ALOX15

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