SCHEMBL6439381

SCHEMBL6439381

COc1ccccc1C(=O)NCC1(c2ccccc2)CCN(C(=O)NCc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 16/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 1/20 0.68
SLC6A9 P48067 1/20 0.63
TP53 P04637 1/20 0.59
GLA P06280 1/20 0.59
HPGD P15428 1/20 0.59

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
SCHEMBL6437537 0.90 MEN1 (0.71) KCNA3MEN1KMT2AALDH1A1SLC6A9
SCHEMBL6438777 0.89 MEN1 (0.72) KCNA3MEN1KMT2AALDH1A1SLC6A9
SCHEMBL6440287 0.87 KCNA3 (0.70) KCNA3MEN1KMT2AALDH1A1SLC6A9
SCHEMBL2470583 0.87 MEN1 (0.67) KCNA3MEN1KMT2AALDH1A1SLC6A9
SCHEMBL6436647 0.87 MEN1 (0.69) KCNA3MEN1KMT2AALDH1A1SLC6A9
SCHEMBL6436136 0.86 MEN1 (0.75) KCNA3MEN1KMT2AALDH1A1SLC6A9
SCHEMBL6439455 0.86 KCNA3 (0.69) KCNA3MEN1KMT2AALDH1A1SLC6A9
SCHEMBL6435611 0.85 KCNA3 (0.68) KCNA3MEN1KMT2AALDH1A1SLC6A9
SCHEMBL6435262 0.85 MEN1 (0.72) KCNA3MEN1KMT2AALDH1A1SLC6A9
SCHEMBL2469741 0.85 MEN1 (0.76) KCNA3MEN1KMT2AALDH1A1SLC6A9

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-1126849-B1 HETEROCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2005-03-09 EP disclosed
EP-1126849-A4 HETEROCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2003-06-04 EP disclosed
US-6303637-B1 FOR THERAPY OF AUTOIMMUNE DISEASE, PROPHYLAXIS OF RESISTANCE TO TRANSPLANTATION OR TRANSPLANTATION REJECTION OF ORGANS OR TISSUES; SUPPRESSING IMMUNE SYSTEM MERCK & CO., INC. 2001-10-16 US disclosed
EP-1126849-A1 HETEROCYCLIC POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2001-08-29 EP disclosed
WO-2000025786-A1 HETEROCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed