SCHEMBL9025554

SCHEMBL9025554

COc1ccc(-c2ccc(CN3CCCC3)nc2)cc1N(C)c1occ2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
CHEK1 O14757 1/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 1/20 0.34
HTR7 P34969 1/20 0.34
PAICS P22234 1/20 0.34
MELK Q14680 1/20 0.34

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
SCHEMBL9025657 0.85 MAPK14 (0.37) MAPK14KDM4EL3MBTL1KCNH2MCHR1
SCHEMBL9025502 0.84 PDE7A (0.37) KDM4EL3MBTL1ALDH1A1LMNAMAPK1
SCHEMBL9220066 0.82 MEN1 (0.42) ACHEMEN1KMT2A
SCHEMBL9030858 0.81 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1LMNAMAPK1
SCHEMBL9025565 0.78 MAPK14 (0.39) MAPK14KDM4EL3MBTL1KCNH2MCHR1
SCHEMBL9026327 0.77 CYP11B2 (0.47) KDM4EABCB1ABCC1ALDH1A1MAPK1
SCHEMBL9026284 0.77 SIGMAR1 (0.47) LMNA
SCHEMBL9032013 0.76 MAPT (0.37) KDM4EABCB1ALDH1A1LMNAMAPT
SCHEMBL9026126 0.76 HRH3 (0.48) KDM4EL3MBTL1KCNH2ALDH1A1DRD3
SCHEMBL9025511 0.74 KDM4E (0.38) KDM4EL3MBTL1ABCB1ALDH1A1LMNA

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 disclosed