SCHEMBL8712256

SCHEMBL8712256

N#CNC1=Cc2cccc3cccc1c23

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 5/20 0.36
MCL1 Q07820 2/20 0.36
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
S100A4 P26447 1/20 0.36
HSD17B10 Q99714 4/20 0.34
TSHR P16473 3/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
CYP3A4 P08684 2/20 0.32
PABPC1 P11940 2/20 0.32

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
SCHEMBL3124182 0.82 MEN1 (0.51) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL6540748 0.79 MAPK1 (0.50) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL3406520 0.75 MEN1 (0.47) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL4922451 0.72 MAPK1 (0.52) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL23300524 0.71 MAPT (0.50) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL6154836 0.71 MAPK1 (0.43) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL3406240 0.69 MAPT (0.45) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL8332159 0.69 MEN1 (0.41) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL4507358 0.69 MAPK1 (0.52) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL30357095 0.69 MAPK1 (0.52) MAPK1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US disclosed
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 EP disclosed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 WO disclosed