SCHEMBL10181046

SCHEMBL10181046

COC(=O)CC(c1cc(F)cc(Br)c1)C(C#N)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HTT P42858 4/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 3/20 0.40
KCNA5 P22460 4/20 0.35
LMNA P02545 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALPG P10696 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL10179071 0.92 KCNA5 (0.40) ALDH1A1HTTMAPTKMT2AKCNA5
SCHEMBL2333767 0.89 KCNA5 (0.40) ALDH1A1HTTMAPTKMT2AKCNA5
SCHEMBL10179678 0.86 ALDH1A1 (0.42) ALDH1A1HTTMAPTKMT2AKCNA5
SCHEMBL10451128 0.84 KMT2A (0.46) ALDH1A1HTTMAPTKMT2AKCNA5
SCHEMBL10179626 0.84 ALDH1A1 (0.42) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL10451133 0.81 KMT2A (0.49) ALDH1A1HTTMAPTKMT2AKCNA5
SCHEMBL10452002 0.81 KMT2A (0.51) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL10696020 0.79 KCNA5 (0.46) ALDH1A1HTTMAPTKMT2AKCNA5
SCHEMBL10452409 0.79 KMT2A (0.44) ALDH1A1HTTMAPTKMT2AKCNA5
SCHEMBL10179847 0.79 KCNA5 (0.40) ALDH1A1MAPTKMT2AKCNA5GAA

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
EP-2474226-A1 Herbicidally active composition comprising cyanobutyrates BASF SE (DE) 2012-07-11 EP disclosed
EP-2474226-A1 Herbicidally active composition comprising cyanobutyrates BASF SE (DE) 2012-07-11 EP disclosed