SCHEMBL8304733

SCHEMBL8304733

Brc1cc(Br)cc(Oc2cccnc2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
HTT P42858 1/20 0.54
CYP19A1 P11511 3/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
GRM5 P41594 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 2/20 0.45
FFAR4 Q5NUL3 2/20 0.44
ABL1 P00519 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL2180955 0.88 LMNA (0.56) LMNATDP1HTTCYP19A1ALDH1A1
SCHEMBL4457253 0.88 LMNA (0.56) LMNATDP1HTTCYP19A1ALDH1A1
SCHEMBL2193231 0.87 LMNA (0.63) LMNATDP1HTTCYP19A1ALDH1A1
SCHEMBL22061921 0.86 LMNA (0.87) LMNATDP1HTTCYP19A1ALDH1A1
SCHEMBL8306355 0.84 LMNA (0.51) LMNATDP1HTTCYP19A1ALDH1A1
SCHEMBL30535283 0.83 LMNA (0.82) LMNATDP1HTTCYP19A1ALDH1A1
SCHEMBL676142 0.83 LMNA (0.82) LMNATDP1HTTCYP19A1ALDH1A1
SCHEMBL788675 0.82 LMNA (0.62) LMNATDP1HTTCYP19A1ALDH1A1
Potassium SCHEMBL6776357 0.81 LMNA (0.78) LMNATDP1HTTCYP19A1ALDH1A1
SCHEMBL16114401 0.79 LMNA (0.75) LMNATDP1HTTCYP19A1ALDH1A1

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
EP-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 EP disclosed
US-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US 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