SCHEMBL2481064

SCHEMBL2481064

CN(C(=O)CCC[S+]([O-])c1ccc(F)cc1)c1nccc2ccccc12.COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(F)cc2)c(C)n1.COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(F)cc2)cn1.COc1ccc(SCCCC(=O)N(C)c2nccc3ccccc23)cc1.COc1ccc([S+]([O-])CCCC(=O)N(C)Cc2cc(Cl)ccc2OC)cc1.COc1ccc([S+]([O-])CCCC(=O)N(C)c2nccc3ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 4/20 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
SCHEMBL2483885 0.84 MAPT (0.34)
SCHEMBL2483956 0.82 PLA2G7 (0.31) PLA2G7
SCHEMBL3250338 0.79
SCHEMBL2484979 0.73 PLA2G7 (0.41) PLA2G7
SCHEMBL417189 0.72 PLA2G7 (0.47) PLA2G7
SCHEMBL415358 0.71 PLA2G7 (0.42) PLA2G7
SCHEMBL418725 0.71 KCNH2 (0.45) PLA2G7
SCHEMBL416548 0.69 PLA2G7 (0.42) PLA2G7
SCHEMBL2485770 0.69 PLA2G7 (0.41) PLA2G7
SCHEMBL416691 0.69 PLA2G7 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed