SCHEMBL27362730

SCHEMBL27362730

N#Cc1c(S)c2c(c(S)c1C#N)C(=O)c1ccccc1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
CES1 P23141 2/20 0.42
BCHE P06276 1/20 0.42
SQOR Q9Y6N5 2/20 0.39
ALDH1A1 P00352 6/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAP3K9 P80192 1/20 0.36
MAP3K11 Q16584 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MIF P14174 1/20 0.36
MAOB P27338 1/20 0.36
USP8 P40818 2/20 0.35
USP7 Q93009 2/20 0.35

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
SCHEMBL55010 0.79 ALDH1A1 (0.45) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL9356907 0.77 CES1 (0.46) MAOACES1BCHESQORALDH1A1
SCHEMBL28571180 0.72 MAOA (0.55) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL27550680 0.71 MAOA (0.44) MAOACES1BCHEALDH1A1CYP1A2
Anthrone SCHEMBL27562264 0.67 MAOA (0.95) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL260885 0.66 MAOA (0.55) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL27424233 0.66 MAOA (0.55) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL29220656 0.66 MAOA (0.55) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL29364462 0.66 MAOA (0.61) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL17796874 0.66 MAOA (0.61) MAOACES1BCHEALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1100764-C 2[(2-Alkoxy-6-trifluoromethyl pyrimidine-4-yl)-oxymethylene]-phenyl-acetic acid derivatives, process and intermediate products for their production and their use BASF AG (DE) 2003-02-05 CN disclosed
CN-1075807-C Iminooxymethyleneanilides, their preparation and intermediates therefor and pesticides containing them BASF AG (DE) 2001-12-05 CN disclosed
CN-1069638-C Azolyloxybenzylalkoxyacrylates, their preparation and use BASF AG (DE) 2001-08-15 CN disclosed
CN-1199392-A Phenylacetic acid derivs, process for their preparation and their use as pesticides and fungicides BASF AG (DE) 1998-11-18 CN disclosed
CN-1187814-A (hetero) aryloxy-, -thio-and-aminocrotonates, preparation and use thereof BASF AG (DE) 1998-07-15 CN disclosed
CN-1185149-A 2-2[-(hetaryloxymethylene) phenyl]-crotonates used as pesticides and fungicides BASF AG (DE) 1998-06-17 CN disclosed
CN-1171783-A Iminooxymethylene anilides, process for their preparation and their use BASF AG (DE) 1998-01-28 CN disclosed
CN-1171784-A Iminooxybenzylcrotonic acid esters, process for their preparation and use thereof BASF AG (DE) 1998-01-28 CN disclosed
CN-1164228-A 2- [ (2-alkoxy-6-trifluoromethylpyrimidin-4-yl) oxymethylene ] phenylacetic acid derivatives, their preparation and intermediates and use BASF AG (DE) 1997-11-05 CN disclosed