SCHEMBL13824013

SCHEMBL13824013

COC(=O)c1cccc(-c2cccs2)c1CF

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
KMT2A Q03164 5/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.42
KEAP1 Q14145 1/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 3/20 0.42
POLB P06746 2/20 0.42
NR4A2 P43354 1/20 0.42
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL22261509 0.86 KMT2A (0.43) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL7130530 0.82 SLC6A4 (0.47) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL4249807 0.81 KMT2A (0.53) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL22261535 0.80 L3MBTL1 (0.44) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL22261511 0.80 ALDH1A1 (0.53) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL13823879 0.77 SLC6A3 (0.55) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL11271816 0.76 KMT2A (0.48) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL1610957 0.76 KMT2A (0.55) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL13823899 0.76 SLC6A3 (0.50) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL12320666 0.75 KMT2A (0.53) MAPTKMT2AGAAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012150208-A1 USE OF SUBSTITUTED BENZYL ALCOHOL ESTERS OF CYCLOPROPANECARBOXYLIC ACID FOR CONTROLLING INSECTICIDE-RESISTANT INSECTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
WO-2012150221-A2 NOVEL HALOGENATED BENZYL ALCOHOL ESTERS OF CYCLOPROPANE CARBOXYLIC ACID AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed