SCHEMBL7554004

SCHEMBL7554004

O=S(=O)(O)c1c[c]c(O)c2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 6/20 0.60
CYP1A2 P05177 2/20 0.54
HIF1A Q16665 2/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 1/20 0.54
FTO Q9C0B1 2/20 0.49
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.45
NSD2 O96028 1/20 0.45
POLB P06746 1/20 0.45
IDE P14735 1/20 0.45
DUSP3 P51452 1/20 0.45
CCR6 P51684 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
PTPN7 P35236 1/20 0.42

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
SCHEMBL14601667 0.76 COMT (0.77) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL5033149 0.76 TTR (0.43) COMTCYP1A2NSD2
SCHEMBL114961 0.76 COMT (1.00) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL29456746 0.76 COMT (1.00) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL4624672 0.75 COMT (0.75) COMTCYP1A2HIF1AALOX15HSD17B10
Lithium SCHEMBL4624679 0.75 COMT (0.75) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL9407080 0.74 COMT (0.97) COMTCYP1A2HIF1AALOX15HSD17B10
Water SCHEMBL10628327 0.74 COMT (0.97) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL11317138 0.74 COMT (0.97) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL1873349 0.74 COMT (0.97) COMTCYP1A2HIF1AALOX15HSD17B10

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-2002060374-A2 BENZ-1,3-AZOLE DERIVATIVES AND THEIR USES AS HEPARANASE INHIBITORS INSIGHT STRATEGY AND MARKETING LTD (IL) 2002-08-08 WO disclosed