SCHEMBL6439284

SCHEMBL6439284

CCCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.89
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 1/20 0.64
KCNA3 P22001 15/20 0.61

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
SCHEMBL7207655 0.94 SLC6A9 (1.00) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL6435617 0.92 SLC6A9 (0.89) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2886953 0.90 SLC6A9 (0.73) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2470690 0.86 SLC6A9 (0.78) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2471816 0.85 SLC6A9 (0.76) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL13183061 0.85 SLC6A9 (0.70) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2699889 0.85 SLC6A9 (0.76) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL12195623 0.84 SLC6A9 (0.75) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2467853 0.84 SLC6A9 (0.75) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2469568 0.84 SLC6A9 (0.75) SLC6A9MEN1KMT2AALDH1A1KCNA3

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 2 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
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