SCHEMBL8309319

SCHEMBL8309319

CCOC(=O)CCc1cc(CCNS(=O)(=O)N2CCCC2)cc(Cc2ccncc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.59
MAPK1 P28482 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 6/20 0.42
LMNA P02545 3/20 0.42
USP2 O75604 1/20 0.42
NR1D1 P20393 1/20 0.40
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8307370 0.89 TBXAS1 (0.77) TBXAS1
SCHEMBL8309043 0.88 TBXAS1 (0.77) TBXAS1
SCHEMBL8306484 0.86 TBXAS1 (0.78) TBXAS1MAPK1HPGDALDH1A1LMNA
SCHEMBL8307474 0.82 TBXAS1 (0.58) TBXAS1MAPK1ALDH1A1HTTMEN1
SCHEMBL8306769 0.80 TBXAS1 (0.63) TBXAS1MAPK1ALDH1A1LMNAHTT
SCHEMBL8307025 0.79 TBXAS1 (0.75) TBXAS1ALDH1A1LMNAHTTMEN1
SCHEMBL8307100 0.78 TBXAS1 (0.61) TBXAS1
SCHEMBL8310260 0.77 TBXAS1 (0.50) TBXAS1
SCHEMBL8308006 0.76 CYP4F2 (0.47) TBXAS1HPGDALDH1A1LMNAMEN1
SCHEMBL8309265 0.74 TBXAS1 (1.00) TBXAS1

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-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