SCHEMBL27678877

SCHEMBL27678877

CCCCc1nc2c(S)cccc2n1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.48
▸ GLA P06280 1/20 0.46
▸ AGTR1 P30556 3/20 0.44
▸ AGTR2 P50052 3/20 0.44
▸ PTGDR2 Q9Y5Y4 3/20 0.44
▸ TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL27678874 0.95 APEX1 (0.54) APEX1KDM4EGLAAGTR1AGTR2
SCHEMBL27697873 0.84 APEX1 (0.51) APEX1KDM4EPTGDR2
SCHEMBL9422759 0.79 APEX1 (0.84) APEX1KDM4EGLAAGTR1AGTR2
SCHEMBL1890982 0.77 APEX1 (0.49) APEX1KDM4EAGTR1AGTR2PTGDR2
SCHEMBL8931821 0.72 APEX1 (0.47) APEX1KDM4EGLAAGTR1AGTR2
SCHEMBL9531115 0.71 APEX1 (0.65) APEX1KDM4EGLAAGTR1AGTR2
SCHEMBL28238965 0.71 HPGD (0.48) KDM4ETLR7
SCHEMBL3825019 0.69 TLR7 (0.42) APEX1TLR7
SCHEMBL9125473 0.68 AGTR1 (0.71) AGTR1AGTR2TLR7
SCHEMBL9851085 0.68 GLA (0.47) APEX1KDM4EGLATLR7

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
CN-101052397-A 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-10-10 — — CN disclosed
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