SCHEMBL6166661

SCHEMBL6166661

OC(COCc1ccccc1)CSc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.60
CA2 P00918 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
BACE1 P56817 1/20 0.55
MAPK1 P28482 1/20 0.49
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AGER Q15109 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA4 P22748 1/20 0.43

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
SCHEMBL9770512 0.92 BACE1 (0.65) CA1CA2CA7CA9BACE1
SCHEMBL397022 0.82 CA1 (0.78) CA1CA2CA7CA9MAPK1
SCHEMBL2951470 0.79 CYP2D6 (0.53) BACE1MAPK1TSHRPOLBCYP2D6
SCHEMBL7153591 0.78 CA1 (0.76) CA1CA2CA7CA9MAPK1
SCHEMBL916141 0.78 MAOA (0.56) CA1CA2CA7CA9BACE1
SCHEMBL23540471 0.78 CA1 (0.59) CA1CA2CA7CA9MAPK1
SCHEMBL14865812 0.78 MAOA (0.46) CA1CA2CA7CA9BACE1
SCHEMBL29215324 0.78 CA1 (0.59) CA1CA2CA7CA9MAPK1
SCHEMBL23557188 0.78 CA1 (0.59) CA1CA2CA7CA9MAPK1
SCHEMBL2952028 0.77 MAPT (0.50) CA1CA2CA7CA9BACE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579819-B1 NOVEL PYRIDONE DERIVATIVE HAVING AN AFFINITY FOR THE ANGIOTENSINE II RECEPTOR AVENTIS PHARMA SA (FR) 2005-12-21 EP disclosed
US-5674883-A ANGIOTENSIN II INHIBITOR ROUSSEL UCLAF (FR) 1997-10-07 US disclosed
EP-0579819-A1 NOVEL PYRIDONE DERIVATIVES, PREPARATION METHOD THEREFOR, NOVEL INTERMEDIATES THEREBY OBTAINED, THEIR USE AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1994-01-26 EP disclosed
WO-1993016049-A1 NOVEL PYRIDONE DERIVATIVES, PREPARATION METHOD THEREFOR, NOVEL INTERMEDIATES THEREBY OBTAINED, THEIR USE AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL-UCLAF (FR) 1993-08-19 WO disclosed