SCHEMBL2907362

SCHEMBL2907362

CC(C)c1ccc2oc3cc(OC(=O)O)c(N)nc3c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 19/20 0.56
▸ IKBKE Q14164 10/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ TTR P02766 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ GPR35 Q9HC97 1/20 0.56

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
SCHEMBL10347100 0.86 TBK1 (0.72) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11100703 0.85 TBK1 (0.47) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11102394 0.83 TBK1 (0.48) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL2901850 0.83 TBK1 (0.72) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL2908311 0.82 TBK1 (0.71) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL2908309 0.82 TBK1 (0.71) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL2908306 0.79 TBK1 (0.57) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11107442 0.79 TBK1 (0.51) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11358113 0.78 TBK1 (0.53) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL10514251 0.76 TBK1 (0.59) TBK1IKBKEKDM4ENPC1ABCC4

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
EP-1758857-B1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2010-08-18 — — EP disclosed
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