SCHEMBL6918952

SCHEMBL6918952

Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2cccc(OC[C@H](O)CO)c21.Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2cccc(OC[C@H]3COC(C)(C)O3)c21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.31
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30

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
SCHEMBL6713771 0.94 MAPK14 (0.34) MAPK14KCNJ5KCNJ3
SCHEMBL6919505 0.93 F10 (0.36) MAPK14KCNJ5KCNJ3
SCHEMBL6710196 0.89 HIF1A (0.35)
SCHEMBL6710199 0.89 HIF1A (0.35)
SCHEMBL6707756 0.86 F10 (0.40) MAPK14KCNJ5KCNJ3
SCHEMBL6709844 0.85 MAPK14 (0.33) MAPK14KCNJ5KCNJ3
SCHEMBL6713995 0.82 NR2E1 (0.36)
SCHEMBL6708000 0.82 KDM1A (0.37)
SCHEMBL6707796 0.82 MAPK14 (0.36) MAPK14KCNJ5KCNJ3
SCHEMBL6710548 0.81 GAA (0.36)

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
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed