SCHEMBL9025816

SCHEMBL9025816

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PAICS P22234 2/20 0.34
PDE7A Q13946 2/20 0.34
PDE3A Q14432 2/20 0.34
PDE10A Q9Y233 2/20 0.34
NEK2 P51955 1/20 0.33
MAPT P10636 1/20 0.32
RAD52 P43351 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 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
SCHEMBL9026352 0.92 KDM4E (0.32) KDM4EL3MBTL1PAICS
SCHEMBL9025304 0.88 KDM4E (0.37) KDM4EL3MBTL1NEK2MAPTRAD52
SCHEMBL9025502 0.86 PDE7A (0.37) KDM4EL3MBTL1PAICSPDE7APDE3A
SCHEMBL9025657 0.86 MAPK14 (0.37) KDM4EL3MBTL1PAICSMAPTALDH1A1
Water SCHEMBL9025694 0.82 MEN1 (0.41) KDM4EALDH1A1LMNA
Water SCHEMBL9025692 0.82 MEN1 (0.41) KDM4EALDH1A1LMNA
SCHEMBL9025609 0.81 TLR8 (0.44)
SCHEMBL9025961 0.79 KDM4E (0.34) KDM4EL3MBTL1MAPTALDH1A1MAPK1
SCHEMBL9026614 0.77 SIGMAR1 (0.43) LMNA
Water SCHEMBL9218005 0.77 HRH3 (0.43) KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO claimed
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed