SCHEMBL11101370

SCHEMBL11101370

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 10/20 0.42
▸ IKBKE Q14164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ PTPN1 P18031 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32

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
SCHEMBL11100149 0.84 TBK1 (0.46) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL11107442 0.82 TBK1 (0.51) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL11096969 0.82 TBK1 (0.46) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL11099326 0.82 TBK1 (0.53) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL11125444 0.81 TBK1 (0.47) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL11394403 0.80 TBK1 (0.44) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL11101367 0.78 TBK1 (0.42) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL11098818 0.77 RAB9A (0.44) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL11356803 0.75 TBK1 (0.44) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL11102021 0.73 TBK1 (0.53) TBK1IKBKEKDM4ENPC1RAB9A

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-0026675-B1 1-AZAXANTHONE-3-CARBOXYLIC ACIDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1984-03-14 — — EP disclosed
US-4302463-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-24 — — US disclosed
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