SCHEMBL10180246

SCHEMBL10180246

COC(=O)CC(c1cc(F)cc(OC(F)F)c1)C(C#N)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.38
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CRHBP P24387 1/20 0.34
CYP2C19 P33261 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC6A4 P31645 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL10179626 0.93 ALDH1A1 (0.42) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL10696020 0.84 KCNA5 (0.46) KCNA5MAPTKMT2AHTTALDH1A1
SCHEMBL10179071 0.84 KCNA5 (0.40) KCNA5MAPTKMT2AHTTALDH1A1
SCHEMBL10179847 0.84 KCNA5 (0.40) KCNA5MAPTKMT2AALDH1A1MEN1
SCHEMBL10695685 0.81 KCNA5 (0.45) KCNA5MAPTKMT2AHTTALDH1A1
SCHEMBL10695903 0.80 KCNA5 (0.53) KCNA5KMT2AHTTALDH1A1
SCHEMBL10695128 0.79 KCNA5 (0.41) KCNA5MAPTTSHRKMT2AHTT
SCHEMBL10451128 0.78 KMT2A (0.46) KCNA5MAPTKMT2AHTTALDH1A1
SCHEMBL10180840 0.78 KCNA5 (0.43) KCNA5MAPTKMT2AALDH1A1MEN1
SCHEMBL10452397 0.78 KMT2A (0.49) KCNA5TSHRKMT2AALDH1A1LMNA

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