SCHEMBL9051430

SCHEMBL9051430

N#Cc1ccc(CSCC2(CSCc3ccc(C#N)cc3)NC(=O)NC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
DAO P14920 3/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
IDO1 P14902 2/20 0.39
EPHX1 P07099 1/20 0.38
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CTSB P07858 1/20 0.36
ACE P12821 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 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
SCHEMBL8661339 0.80 ALDH1A1 (0.42) HTTMAOBMAOAALDH1A1MAPT
SCHEMBL9049539 0.78 ALDH1A1 (0.43) HTTDAOALDH1A1HRH3RAB9A
SCHEMBL9050747 0.77 SMN1; SMN2 (0.55) DAOBCHEACHEIDO1MAOB
SCHEMBL9048067 0.77 CA12 (0.44) HTTEPHX1ALDH1A1TP53
SCHEMBL9046628 0.76 CYP1A2 (0.50) HTTBCHEACHEIDO1EPHX1
SCHEMBL8660050 0.72 ALDH1A1 (0.39) MAOBMAOAALDH1A1ACEMAPT
SCHEMBL8660046 0.72 ALDH1A1 (0.39) MAOBMAOAALDH1A1ACEMAPT
SCHEMBL5935684 0.72 ALDH1A1 (0.42) ALDH1A1MAPT
SCHEMBL13103908 0.72 ALDH1A1 (0.42) ALDH1A1MAPT
SCHEMBL4597178 0.72 HTT (0.66) HTTDAOBCHEACHEIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660826-A4 5,5-DISUBSTITUTED HYDANTOINS. SOUTHERN RES INST (US) 1996-07-31 EP disclosed
EP-0660826-A1 5,5-DISUBSTITUTED HYDANTOINS SOUTHERN RESEARCH INSTITUTE (US) 1995-07-05 EP disclosed
WO-1994006775-A1 5,5-DISUBSTITUTED HYDANTOINS SOUTHERN RESEARCH INSTITUTE (US) 1994-03-31 WO disclosed