SCHEMBL11099679

SCHEMBL11099679

CCCCN(O)c1nc2c(=O)c3cc(C(C)C)ccc3oc2cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 15/20 0.50
▸ IKBKE Q14164 6/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ TTR P02766 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ GPR35 Q9HC97 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35

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
SCHEMBL11102021 0.90 TBK1 (0.53) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11399420 0.89 RAB9A (0.43) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11099326 0.85 TBK1 (0.53) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11392060 0.79 RAB9A (0.46) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11102044 0.78 TBK1 (0.56) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL2901850 0.78 TBK1 (0.72) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL2908311 0.77 TBK1 (0.71) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL2908309 0.77 TBK1 (0.71) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11098818 0.76 RAB9A (0.44) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11125444 0.76 TBK1 (0.47) 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
US-4302463-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-24 — — 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
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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