SCHEMBL7748712

SCHEMBL7748712

COc1cccc(C=NNC(=N)N)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.70
MAPT P10636 8/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
HTT P42858 5/20 0.70
NPC1 O15118 5/20 0.70
LMNA P02545 5/20 0.70
L3MBTL1 Q9Y468 4/20 0.70
RECQL P46063 2/20 0.70
POLB P06746 1/20 0.70
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
ADORA2A P29274 1/20 0.58
CA12 O43570 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
GAA P10253 5/20 0.55
RAB9A P51151 3/20 0.55
PKM P14618 3/20 0.55
GFER P55789 1/20 0.55
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL7748708 1.00 KDM4E (0.70) KDM4EMAPTSMN1; SMN2HTTNPC1
SCHEMBL9458185 0.88 KDM4E (0.74) KDM4EMAPTSMN1; SMN2HTTNPC1
SCHEMBL7743078 0.87 MEN1 (0.59) KDM4EMAPTSMN1; SMN2HTTNPC1
SCHEMBL7743079 0.87 MEN1 (0.59) KDM4EMAPTSMN1; SMN2HTTNPC1
SCHEMBL28223411 0.86 KDM4E (0.70) KDM4EMAPTSMN1; SMN2HTTNPC1
SCHEMBL7748683 0.86 KDM4E (0.70) KDM4EMAPTSMN1; SMN2HTTNPC1
SCHEMBL7748688 0.86 KDM4E (0.70) KDM4EMAPTSMN1; SMN2HTTNPC1
Hydrochloric Acid SCHEMBL17560786 0.85 MEN1 (0.58) KDM4EMAPTSMN1; SMN2HTTNPC1
SCHEMBL13673522 0.84 KDM4E (0.68) KDM4EMAPTSMN1; SMN2HTTNPC1
Hydrochloric Acid SCHEMBL5702983 0.84 KDM4E (0.68) KDM4EMAPTSMN1; SMN2HTTNPC1

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
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 claimed
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