SCHEMBL9026352

SCHEMBL9026352

CN=C(N)N(c1cc(-c2ccn(CN3CCCC3)n2)ccc1OC)c1occ2ccccc12.CN=C(N)N(c1cc(-c2cnc(CN3CCCC3)s2)ccc1OC)c1occ2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PAICS P22234 2/20 0.30

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
SCHEMBL9025816 0.92 KDM4E (0.35) KDM4EL3MBTL1PAICS
SCHEMBL9025961 0.90 KDM4E (0.34) KDM4EL3MBTL1
SCHEMBL9025304 0.81 KDM4E (0.37) KDM4EL3MBTL1
SCHEMBL9025502 0.79 PDE7A (0.37) KDM4EL3MBTL1PAICS
SCHEMBL9025657 0.79 MAPK14 (0.37) KDM4EL3MBTL1PAICS
Water SCHEMBL9025694 0.75 MEN1 (0.41) KDM4E
Water SCHEMBL9025692 0.75 MEN1 (0.41) KDM4E
SCHEMBL9025609 0.74 TLR8 (0.44)
SCHEMBL9026614 0.71 SIGMAR1 (0.43)
Water SCHEMBL9218000 0.71 HRH3 (0.43) KDM4E

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-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP claimed