SCHEMBL10179847

SCHEMBL10179847

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.40
GPR139 Q6DWJ6 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL10179678 0.92 ALDH1A1 (0.42) KCNA5ALDH1A1KMT2AKDM4EMEN1
SCHEMBL10180840 0.92 KCNA5 (0.43) KCNA5GPR139ALDH1A1NPSR1HPGD
SCHEMBL10696020 0.87 KCNA5 (0.46) KCNA5ALDH1A1NPSR1HPGDKMT2A
SCHEMBL10179071 0.87 KCNA5 (0.40) KCNA5ALDH1A1KMT2AMEN1GAA
SCHEMBL10452409 0.84 KMT2A (0.44) KCNA5ALDH1A1NPSR1HPGDKMT2A
SCHEMBL9681946 0.84 OPRM1 (0.41) KCNA5ALDH1A1CNR1CNR2HPGD
SCHEMBL10180246 0.84 KCNA5 (0.38) KCNA5ALDH1A1NPSR1KMT2AMEN1
SCHEMBL10695685 0.84 KCNA5 (0.45) KCNA5GPR139ALDH1A1NPSR1CNR2
SCHEMBL10695903 0.83 KCNA5 (0.53) KCNA5ALDH1A1HPGDKMT2A
SCHEMBL10697346 0.82 KMT2A (0.42) KCNA5ALDH1A1CNR1CNR2KMT2A

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