SCHEMBL5332563

SCHEMBL5332563

COc1ccc(O)c(-c2nc3c(CNCc4ccccn4)cccc3o2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 4/20 0.43
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TOP2A P11388 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
SYK P43405 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL30414713 0.89 L3MBTL1 (0.52) KDM4EL3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL5334625 0.89 L3MBTL1 (0.52) KDM4EL3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL5334048 0.86 KDM4E (0.45) KDM4EL3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL5339851 0.85 KDM4E (0.39) KDM4EL3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL14436660 0.81 L3MBTL1 (0.57) KDM4EL3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL5339446 0.79 L3MBTL1 (0.49) KDM4EL3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL5334323 0.75 SYK (0.45) KDM4EALDH1A1MAPTSYK
SCHEMBL5332439 0.72 SYK (0.42) KDM4EALDH1A1MAPTSYK
SCHEMBL14436096 0.71 SYK (0.42) KDM4EALDH1A1GAAMAPTSYK
SCHEMBL13523024 0.70 KDM6B (0.68) KDM4EHPGDALDH1A1HSD17B10GAA

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-7262301-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2007-08-28 US disclosed
US-7262301-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2007-08-28 US disclosed
US-7105680-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2006-09-12 US disclosed