SCHEMBL11100149

SCHEMBL11100149

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 10/20 0.46
▸ IKBKE Q14164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36

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
SCHEMBL11107442 0.86 TBK1 (0.51) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11096969 0.86 TBK1 (0.46) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11101370 0.84 TBK1 (0.42) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11101367 0.81 TBK1 (0.42) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11369839 0.81 KDM4E (0.55) KDM4ENPC1RAB9APDE3ACSNK2A2
SCHEMBL11356803 0.79 TBK1 (0.44) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11375841 0.75 TBK1 (0.45) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL6206524 0.72 TBK1 (0.65) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11102044 0.72 TBK1 (0.56) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL2901850 0.72 TBK1 (0.72) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4255576-A 1-Azaxanthone derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 — — US claimed
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
US-4299963-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-10 — — US disclosed
US-4267332-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-05-12 — — US disclosed
EP-0026675-A1 1-Azaxanthone-3-carboxylic acids, their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-04-08 — — EP disclosed
US-4255576-A 1-Azaxanthone derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 — — US disclosed
US-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US disclosed
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