SCHEMBL7482156

SCHEMBL7482156

CC(=O)C(=NNc1ccccc1)C(=O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 3/20 0.49
NPC1 O15118 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GFER P55789 2/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 7/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7482142 1.00 MAPT (0.49) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL519257 0.86 MAPT (0.56) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL7493347 0.83 MAPT (0.46) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL7493335 0.83 MAPT (0.46) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL6991136 0.83 MAPT (0.50) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL6991145 0.83 MAPT (0.50) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL7490754 0.82 MAPT (0.54) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL7490755 0.82 MAPT (0.54) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL7485178 0.80 MAPT (0.48) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL7485167 0.80 MAPT (0.48) MAPTRAB9ASMN1; SMN2MAPK1NPC1

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
EP-0712402-B1 HYDROISOQUINOLINE DERIVATIVES SMITHKLINE BEECHAM SPA (IT) 2002-04-10 EP disclosed
US-5731322-A ADMINISTERING AS ANALGESICS OR IMMUNOMODULATING AND/OR CARDIOVASCULAR AGENTS SMITHKLINE BEECHAM S.P.A. (IT) 1998-03-24 US disclosed
EP-0712402-A1 HYDROISOQUINOLINE DERIVATIVES Smithkline Beecham S.p.A. (IT) 1996-05-22 EP disclosed
WO-1995004734-A1 HYDROISOQUINOLINE DERIVATIVES SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-02-16 WO disclosed