SCHEMBL7521180

SCHEMBL7521180

CC[C@](CNC=O)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNA5 P22460 8/20 0.35
GAA P10253 2/20 0.34
NR3C2 P08235 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 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
SCHEMBL7510394 1.00 ATM (0.40) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7519235 0.90 MEN1 (0.37) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7512991 0.90 MEN1 (0.37) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7512155 0.86 ALDH1A1 (0.35) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7522638 0.86 ALDH1A1 (0.35) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6828018 0.84 ATM (0.37) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7519458 0.84 ATM (0.37) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7518623 0.82 HTT (0.40) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7515008 0.81 KCNA5 (0.39) ATMMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7520967 0.81 KCNA5 (0.39) ATMMEN1KMT2AHTTSMN1; 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