SCHEMBL7520967

SCHEMBL7520967

COc1ccccc1[C@@](C)(CNC=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NR3C2 P08235 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH7 P40394 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL7515008 1.00 KCNA5 (0.39) KCNA5MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7518623 0.84 HTT (0.40) KCNA5MEN1KMT2AHTTSMN1; SMN2
SCHEMBL9852888 0.81 ADH1B (0.45) MEN1KMT2AALDH1A1NR3C2ADH1B
SCHEMBL7521180 0.81 ATM (0.40) KCNA5MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7510394 0.81 ATM (0.40) KCNA5MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7519235 0.79 MEN1 (0.37) KCNA5MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7512991 0.79 MEN1 (0.37) KCNA5MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7522638 0.78 ALDH1A1 (0.35) KCNA5MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7512155 0.78 ALDH1A1 (0.35) KCNA5MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7519458 0.76 ATM (0.37) KCNA5MEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126836-A4 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2002-09-04 EP disclosed
EP-1126836-A1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2001-08-29 EP disclosed
WO-2000025774-A1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed