SCHEMBL9025516

SCHEMBL9025516

COc1ccc(-c2cnc(CN3CCCC3)s2)cc1C(N)c1occ2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.37
PDE3A Q14432 2/20 0.37
PDE10A Q9Y233 2/20 0.37
KDM4E B2RXH2 3/20 0.37
PAICS P22234 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NEK2 P51955 1/20 0.34
KCNH2 Q12809 2/20 0.34
SCN9A Q15858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
ACP1 P24666 3/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9030860 0.87 KDM4E (0.39) KDM4EL3MBTL1NEK2ALDH1A1LMNA
SCHEMBL9025565 0.85 MAPK14 (0.39) KDM4EPAICSL3MBTL1KCNH2SCN9A
SCHEMBL9061947 0.82 S1PR1 (0.42) ACP1
SCHEMBL9220071 0.81 MEN1 (0.44)
SCHEMBL9025502 0.80 PDE7A (0.37) PDE7APDE3APDE10AKDM4EPAICS
SCHEMBL9025816 0.77 KDM4E (0.35) PDE7APDE3APDE10AKDM4EPAICS
SCHEMBL9025514 0.75 PDE4A (0.39) KDM4EL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL9026132 0.75 HRH3 (0.49) KDM4EKCNH2ALDH1A1MAPT
SCHEMBL9032018 0.73 DHFR (0.39) KDM4EALDH1A1LMNAMAPT
SCHEMBL9026336 0.73 CYP11B2 (0.47) KDM4EALDH1A1MAPK1MAPT

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-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