SCHEMBL2930770

SCHEMBL2930770

O=c1c2ccccc2oc2ccc(Br)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
PGAM1 P18669 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TTR P02766 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL2763236 0.80 MAOA (0.55) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL544963 0.80 MAOA (0.55) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL1375648 0.80 MAOA (0.50) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL31180999 0.75 MAOA (0.49) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL3709991 0.74 KDM4E (0.48) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL30641650 0.74 KDM4E (0.64) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL30593474 0.74 KDM4E (0.64) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL654368 0.74 KDM4E (0.64) MAOAKDM4EALDH1A1GLACYP3A4
Xanthone SCHEMBL41161 0.73 MAOA (1.00) MAOAKDM4EALDH1A1GLACYP3A4
Xanthone SCHEMBL29358061 0.73 MAOA (1.00) MAOAKDM4EALDH1A1GLACYP3A4

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
US-8501398-B2 Luminescence assay using macrocyclic lanthanide (III) complexes UNIVERSITY OF DURHAM (GB) 2013-08-06 US disclosed
EP-2041571-B1 LUMINESCENCE ASSAY USING MACROCYCLIC LANTHANIDE (III) COMPLEXES UNIV DURHAM (GB) 2010-09-15 EP disclosed
US-20100055665-A1 LUMINESCENCE ASSAY USING MACROCYCLIC LANTHANIDE (III) COMPLEXES UNIVERSITY OF DURHAM (GB) 2010-03-04 US disclosed