SCHEMBL7748698

SCHEMBL7748698

COc1cc(C=NNC(=N)N)cc(OC)c1O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.69
POLB P06746 6/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 5/20 0.57
GAA P10253 3/20 0.57
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 4/20 0.53
MMP9 P14780 1/20 0.52
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NOX1 Q9Y5S8 1/20 0.50
PGR P06401 1/20 0.49
AR P10275 1/20 0.49
ASF1A Q9Y294 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL7748692 1.00 KMT2A (0.69) KMT2APOLBLMNAMAPTGAA
SCHEMBL6742684 0.94 KMT2A (0.62) KMT2APOLBLMNAMAPTGAA
SCHEMBL6742685 0.94 KMT2A (0.62) KMT2APOLBLMNAMAPTGAA
SCHEMBL7743096 0.88 HPGD (0.68) KMT2APOLBLMNAMAPTGAA
SCHEMBL7743100 0.88 HPGD (0.68) KMT2APOLBLMNAMAPTGAA
SCHEMBL23996025 0.87 KMT2A (0.55) KMT2APOLBLMNAMAPTGAA
Hydrochloric Acid SCHEMBL6515900 0.86 HPGD (0.66) KMT2APOLBLMNAMAPTGAA
Hydrochloric Acid SCHEMBL6515894 0.86 HPGD (0.66) KMT2APOLBLMNAMAPTGAA
SCHEMBL16993689 0.85 POLB (0.80) KMT2APOLBMAPTGAATDP1
SCHEMBL16993691 0.85 POLB (0.80) KMT2APOLBMAPTGAATDP1

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-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO disclosed