SCHEMBL5176147

SCHEMBL5176147

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
TP53 P04637 2/20 0.50
GLA P06280 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CTSD P07339 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 2/20 0.47
HSP90AA1 P07900 1/20 0.47
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CACNA1G O43497 1/20 0.45
KCNA3 P22001 1/20 0.44
LMNA P02545 1/20 0.44
STAT3 P40763 1/20 0.44

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 0.90 HPGD (0.58) HPGDTP53GLAMEN1KMT2A
SCHEMBL5162389 0.89 MEN1 (0.56) HPGDTP53GLAMEN1KMT2A
SCHEMBL5159518 0.87 NPC1 (0.57) HPGDTP53GLAMEN1KMT2A
SCHEMBL5158404 0.87 RAB9A (0.49) HPGDTP53GLAMEN1KMT2A
SCHEMBL5159245 0.82 HPGD (0.55) HPGDTP53GLAMEN1KMT2A
SCHEMBL5160739 0.81 HPGD (0.44) HPGDTP53GLAMEN1KMT2A
SCHEMBL5156689 0.81 HPGD (0.48) HPGDTP53GLAMEN1KMT2A
SCHEMBL5188858 0.80 STAT3 (0.49) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL13066416 0.80 HPGD (0.50) HPGDTP53GLAMEN1KMT2A
SCHEMBL5161794 0.80 HPGD (0.56) HPGDTP53GLAMEN1KMT2A

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