SCHEMBL7736075

SCHEMBL7736075

O=c1[nH]c(=S)n(Cc2ccc(Br)cc2)cc1Cc1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 13/20 0.42
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
TYMP P19971 1/20 0.33

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
SCHEMBL7008519 0.88 KDM4E (0.46) PLA2G7PDE3BPDE3AMEN1KMT2A
SCHEMBL7009316 0.88 PLA2G7 (0.51) PLA2G7
SCHEMBL7013431 0.88 PLA2G7 (0.54) PLA2G7
SCHEMBL7005556 0.88 PLA2G7 (0.43) PLA2G7PKM
SCHEMBL7013517 0.83 PKM (0.45) PLA2G7MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7010694 0.80 RECQL (0.42) PLA2G7PDE3BPDE3AMEN1KMT2A
SCHEMBL7013475 0.80 PLA2G7 (0.39) PLA2G7
SCHEMBL7014269 0.79 PLA2G7 (0.46) PLA2G7
SCHEMBL7014929 0.78 PLA2G7 (0.56) PLA2G7MEN1PKMKMT2A
SCHEMBL7011951 0.78 PLA2G7 (0.56) PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed