SCHEMBL10180840

SCHEMBL10180840

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.43
TACR1 P25103 2/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.37
GPR139 Q6DWJ6 1/20 0.37

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
SCHEMBL10179847 0.92 KCNA5 (0.40) KCNA5ALDH1A1NPSR1HPGDMEN1
SCHEMBL10695903 0.88 KCNA5 (0.53) KCNA5ALDH1A1HPGDKMT2A
SCHEMBL11439369 0.88 TACR1 (0.40) TACR1ALDH1A1NPSR1MEN1KMT2A
SCHEMBL11153133 0.85 MEN1 (0.42) TACR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL10179678 0.83 ALDH1A1 (0.42) KCNA5ALDH1A1MEN1KMT2AMAPT
SCHEMBL10179849 0.83 NPC1 (0.36) TACR1ALDH1A1NPSR1MEN1KMT2A
SCHEMBL10452409 0.82 KMT2A (0.44) KCNA5ALDH1A1NPSR1HPGDMEN1
SCHEMBL10697278 0.82 CYP2D6 (0.46) KCNA5NPSR1MEN1KMT2AMAPT
SCHEMBL10697424 0.81 KCNA5 (0.44) KCNA5ALDH1A1NPSR1HPGDMEN1
SCHEMBL11155181 0.80 MEN1 (0.45) TACR1ALDH1A1HPGDMEN1KMT2A

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 1 patent. 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