SCHEMBL11102016

SCHEMBL11102016

CCONc1nc2c(=O)c3cc(C(C)C)ccc3oc2cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 11/20 0.49
▸ IKBKE Q14164 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ PKM P14618 2/20 0.49
▸ GPR35 Q9HC97 2/20 0.49
▸ ABCC4 O15439 1/20 0.49
▸ TTR P02766 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL11392057 0.90 RAB9A (0.43) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11099321 0.89 TBK1 (0.52) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11096162 0.86 TBK1 (0.54) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11098817 0.83 RAB9A (0.43) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11126292 0.80 RAB9A (0.45) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11125441 0.80 TBK1 (0.46) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11394398 0.79 TBK1 (0.43) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11102044 0.79 TBK1 (0.56) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL2901850 0.79 TBK1 (0.72) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL2908311 0.78 TBK1 (0.71) TBK1IKBKENPC1RAB9AKDM4E

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 4 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 claimed
US-4302463-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-24 — — US claimed
US-4302463-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-24 — — 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
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