SCHEMBL3246768

SCHEMBL3246768

COc1ccc(OS(=O)(=O)O)c2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 5/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
AGTR1 P30556 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX12 P18054 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HTR1A P08908 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
SCHEMBL6216338 0.83 COMT (0.60) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL1333403 0.82 COMT (0.63) KMT2AMEN1GLATSHRKDM4E
SCHEMBL1506959 0.82 HTR1A (0.53) KMT2AMEN1GLATSHRKDM4E
SCHEMBL14919706 0.76 FTO (0.63) KMT2AMEN1GLATSHRKDM4E
SCHEMBL1332026 0.76 KMT2A (0.62) KMT2AMEN1GLATSHRKDM4E
SCHEMBL9186410 0.76 KMT2A (0.55) KMT2AMEN1GLATSHRKDM4E
SCHEMBL4977841 0.75 KMT2A (0.49) KMT2AMEN1GLATSHRKDM4E
SCHEMBL3156151 0.75 KMT2A (0.59) KMT2AMEN1GLATSHRKDM4E
SCHEMBL11438355 0.74 KDM4E (0.54) KMT2AMEN1KDM4EHSD17B10ALDH1A1
SCHEMBL4022814 0.74 PDE4A (0.64) KMT2AMEN1GLATSHRKDM4E

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
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP disclosed