SCHEMBL5157301

SCHEMBL5157301

COc1ccccc1C(=O)NCC(C)(C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
TP53 P04637 1/20 0.61
GLA P06280 1/20 0.61
CTSD P07339 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
KCNA3 P22001 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.50
STAT3 P40763 1/20 0.50
P2RX7 Q99572 1/20 0.49

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 0.83 HPGD (0.58) HPGDTP53GLACTSDKMT2A
SCHEMBL30848456 0.82 HPGD (0.60) HPGDTP53GLACTSDKMT2A
SCHEMBL5162010 0.81 HPGD (0.56) HPGDTP53GLACTSDKMT2A
SCHEMBL5161041 0.81 HPGD (0.63) HPGDTP53GLACTSDKMT2A
SCHEMBL5161794 0.81 HPGD (0.56) HPGDTP53GLACTSDKMT2A
SCHEMBL18284638 0.81 HPGD (0.61) HPGDTP53GLACTSDKMT2A
SCHEMBL2815122 0.81 KMT2A (0.57) TP53KMT2AMEN1NPC1RAB9A
SCHEMBL5159057 0.79 HPGD (0.53) HPGDTP53GLACTSDKMT2A
SCHEMBL5156911 0.79 HPGD (0.53) HPGDTP53GLACTSDKMT2A
SCHEMBL5176341 0.77 HPGD (0.51) HPGDTP53GLACTSDKMT2A

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