SCHEMBL8598409

SCHEMBL8598409

N#Cc1ccc(COc2cccc3c2C(=O)NC3=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MAOB P27338 7/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMPD1 P17405 1/20 0.41
MAOA P21397 4/20 0.40
SLK Q9H2G2 3/20 0.39
STK10 O94804 2/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MDM2 Q00987 1/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL8597854 0.83 EGFR (0.47) MAOBRAB9ANPC1MAOASLK
SCHEMBL8599835 0.83 MAOA (0.54) MAOBMAOASLKSTK10
SCHEMBL9251222 0.77 GSK3B (0.38) RAB9ANPC1SLKSTK10CLK2
SCHEMBL20630939 0.75 MAPT (0.53) MAOBRAB9ANPC1SMPD1MRGPRX4
SCHEMBL29093420 0.74 CHEK1 (0.45) MAOBSLKSTK10CLK2GSK3A
Water SCHEMBL8678456 0.74 DDB1 (0.45) GSK3B
SCHEMBL18975751 0.73 CRBN (0.55)
SCHEMBL661307 0.73 PDCD1 (0.40)
SCHEMBL7399139 0.72 DDB1 (0.46) GSK3B
SCHEMBL2701829 0.72 GSK3B (0.42) SLKSTK10CLK2GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726314-A ACETYLCHOLINESTERASE INHIBITORS AS NERVE AGENT ANTIDOTES GEORGIA TECH RESEARCH CORP. (US) 1998-03-10 US disclosed
US-5714615-A ACETYLCHOLINESTERASE ENZYME INHIBITOR, STIMULATE NICOTINIC RECEPTORS IN CENTRAL NERVOUS SYSTEM GEORGIA TECH RESEARCH CORPORATION (US) 1998-02-03 US disclosed
US-5290942-A Acetylcholinesterase inhibitors GEORGIA TECH RESEARCH CORPORATION (US) 1994-03-01 US disclosed
US-5206371-A Acetylcholinesterase inhibitor GEORGIA TECH RESEARCH CORPORATION (US) 1993-04-27 US disclosed
US-5180831-A Acetylcholinesterase Inhibitors GEORGIA TECH RESEARCH CORPORATION (US) 1993-01-19 US disclosed