SCHEMBL3709991

SCHEMBL3709991

O=c1c2ccccc2oc2ccc(-c3ccccn3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MAOA P21397 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
PGAM1 P18669 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AHR P35869 1/20 0.45
TP53 P04637 3/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 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
SCHEMBL29986282 0.88 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL15696821 0.88 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL30593474 0.78 KDM4E (0.64) KDM4EALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL654368 0.78 KDM4E (0.64) KDM4EALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL30641650 0.78 KDM4E (0.64) KDM4EALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL14676605 0.75 CASP3 (0.54) KDM4EALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL544963 0.74 MAOA (0.55) KDM4EALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL2763236 0.74 MAOA (0.55) KDM4EALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL2930770 0.74 MAOA (0.55) KDM4EALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL7845838 0.74 KMT2A (0.44) KDM4EALDH1A1MAOASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010084090-A1 PYRIDYL-AZA(THIO)XANTHONE SENSITIZER COMPRISING LANTHANIDE(III) ION COMPLEXING COMPOUNDS, THEIR LUMINESCENT LANTHANIDE (III) ION COMPLEXES AND USE THEREOF AS FLUORESCENT LABELS. CIS BIO INTERNATIONAL (FR) 2010-07-29 WO disclosed