SCHEMBL7207655

SCHEMBL7207655

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 1.00
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 1/20 0.67
KCNA3 P22001 11/20 0.63

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
SCHEMBL6439284 0.94 SLC6A9 (0.89) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL6435617 0.94 SLC6A9 (0.89) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2883643 0.90 SLC6A9 (0.81) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL5585169 0.89 SLC6A9 (0.80) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL5585095 0.89 SLC6A9 (0.80) SLC6A9MEN1KMT2AALDH1A1
SCHEMBL2469658 0.88 SLC6A9 (0.78) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2470690 0.88 SLC6A9 (0.78) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL5591008 0.87 SLC6A9 (0.77) SLC6A9
SCHEMBL2471816 0.87 SLC6A9 (0.76) SLC6A9MEN1KMT2AALDH1A1KCNA3
SCHEMBL2699889 0.86 SLC6A9 (0.76) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017094025-A1 METHOD OF IDENTIFICATION OF COMBINATORIAL ENZYMATIC REACTION TARGETS IN GLIOBLASTOMA SPECIFIC METABOLIC NETWORK COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-06-08 WO 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