SCHEMBL6634816

SCHEMBL6634816

CCOc1cnc(O)nc1OCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AOC3 Q16853 2/20 0.37
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.32
TLR8 Q9NR97 1/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
NUDT1 P36639 1/20 0.31

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
SCHEMBL2148346 0.82 AOC3 (0.38) HPGDSMN1; SMN2AOC3KMT2AMEN1
SCHEMBL3818616 0.78 MEN1 (0.45) HPGDSMN1; SMN2AOC3KMT2AMEN1
SCHEMBL27532126 0.76 NUDT1 (0.47) HPGDSMN1; SMN2AOC3MAPTALDH1A1
SCHEMBL3166513 0.71 KMT2A (0.50) SMN1; SMN2KMT2AMEN1TSHRMAPT
SCHEMBL11790398 0.68 AOC3 (0.37) HPGDSMN1; SMN2AOC3KMT2AMEN1
SCHEMBL12614887 0.67 NQO1 (0.48) KMT2AMEN1POLBTSHRMAPT
SCHEMBL29253548 0.67 HPGD (0.41) HPGDSMN1; SMN2AOC3KMT2AMEN1
SCHEMBL23937859 0.67 AOC3 (0.36) HPGDSMN1; SMN2AOC3KMT2AMEN1
SCHEMBL20116948 0.67 KMT2A (0.39) HPGDSMN1; SMN2AOC3KMT2APOLB
SCHEMBL27035942 0.65 NUDT1 (0.49) KMT2AMEN1MAPTNUDT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456201-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
WO-2003053957-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (US) 2003-07-03 WO disclosed