SCHEMBL9025511

SCHEMBL9025511

COc1ccc(-c2ccccn2)cc1N(C)c1occ2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 5/20 0.37
PKM P14618 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ATM Q13315 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ERN1 O75460 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
PDE4A P27815 1/20 0.36
ACACA Q13085 1/20 0.36

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
SCHEMBL9032013 0.84 MAPT (0.37) KDM4ESMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9026327 0.82 CYP11B2 (0.47) KDM4ESMN1; SMN2MAPTNPC1MEN1
SCHEMBL9025513 0.79 ALDH1A1 (0.50) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL9026853 0.79 GAA (0.45) KDM4ESMN1; SMN2MAPTHTTNPC1
SCHEMBL9216015 0.78 NQO1 (0.37) MAPTALDH1A1GAA
SCHEMBL9024891 0.78 NQO1 (0.37) KDM4ESMN1; SMN2MAPTHTTNPC1
SCHEMBL9026004 0.78 NQO1 (0.37) MAPTALDH1A1PKMGAA
SCHEMBL9025560 0.78 METAP2 (0.40) SMN1; SMN2MAPTHTTNPC1MEN1
SCHEMBL9026462 0.75 LTA4H (0.40) KDM4ESMN1; SMN2MAPTL3MBTL1HTT
SCHEMBL9025502 0.74 PDE7A (0.37) KDM4EMAPTL3MBTL1ALDH1A1LMNA

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