SCHEMBL8306769

SCHEMBL8306769

CCOC(=O)CCc1cc(CCNS(=O)(=O)c2ccccc2)cc(Cc2ccncc2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.63
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL8307025 0.90 TBXAS1 (0.75) TBXAS1ALDH1A1LMNAHTTMEN1
SCHEMBL8308578 0.89 TBXAS1 (0.77) TBXAS1TSHR
SCHEMBL11106768 0.84 ALDH1A1 (0.64) TBXAS1TDP1ALDH1A1LMNAHTT
SCHEMBL8307474 0.84 TBXAS1 (0.58) TBXAS1ALDH1A1HTTMEN1KMT2A
SCHEMBL8306012 0.83 TBXAS1 (0.79) TBXAS1TSHR
SCHEMBL8304690 0.82 TBXAS1 (0.78) TBXAS1TDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL8309271 0.82 TBXAS1 (0.79) TBXAS1ALDH1A1LMNATSHR
SCHEMBL8310272 0.81 TBXAS1 (0.77) TBXAS1
SCHEMBL8305660 0.81 TBXAS1 (0.77) TBXAS1TSHR
SCHEMBL8309158 0.81 TBXAS1 (0.77) TBXAS1TSHR

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-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 EP disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed
EP-0579618-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES Pfizer Limited (GB) 1994-01-26 EP disclosed
WO-1992017451-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LIMITED (GB) 1992-10-15 WO disclosed