SCHEMBL5162389

SCHEMBL5162389

CCC(CC)(CNC(=O)c1ccccc1OC)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 4/20 0.51
TP53 P04637 2/20 0.51
GLA P06280 1/20 0.51
CTSD P07339 1/20 0.50
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
CACNA1G O43497 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4962470 0.91 HPGD (0.58) MEN1KMT2AHPGDTP53GLA
SCHEMBL5176147 0.89 HPGD (0.50) MEN1KMT2AHPGDTP53GLA
SCHEMBL5158404 0.88 RAB9A (0.49) MEN1KMT2AHPGDTP53GLA
SCHEMBL5156689 0.87 HPGD (0.48) MEN1KMT2AHPGDTP53GLA
SCHEMBL5159245 0.83 HPGD (0.55) MEN1KMT2AHPGDTP53GLA
SCHEMBL5160739 0.82 HPGD (0.44) MEN1KMT2AHPGDTP53GLA
SCHEMBL13066416 0.81 HPGD (0.50) MEN1KMT2AHPGDTP53GLA
SCHEMBL5159518 0.81 NPC1 (0.57) MEN1KMT2AHPGDTP53GLA
SCHEMBL5161794 0.81 HPGD (0.56) MEN1KMT2AHPGDTP53GLA
SCHEMBL7559499 0.80 KCNK3 (0.48) MEN1KMT2AHPGDTP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126836-B1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-02-14 EP disclosed
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
US-6194458-B1 1-(2-METHOXYPHENYL)-1-OXO-2-AZA-(S)-4-I-BUTYL-4-PHENYLBUTANE, FOR EXAMPLE; TREATING VARIOUS CONDITIONS INCLUDING TRANSPLANTATION REJECTION OF ORGANS OR TISSUES IN A PATIENT; IMMUNOSUPPRESSANT COMPOSITIONS MERCK & CO., INC. 2001-02-27 US disclosed
WO-2000025774-A1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed