SCHEMBL11107442

SCHEMBL11107442

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 12/20 0.51
▸ IKBKE Q14164 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ TTR P02766 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ GPR35 Q9HC97 1/20 0.48
▸ PTPN1 P18031 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 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
SCHEMBL11100149 0.86 TBK1 (0.46) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11096969 0.86 TBK1 (0.46) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11367261 0.84 NT5E (0.45) NPC1RAB9AKDM4EPKMMAPT
SCHEMBL6206524 0.84 TBK1 (0.65) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11101370 0.82 TBK1 (0.42) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11375422 0.82 GPR35 (0.46) NPC1RAB9AKDM4ETTRGAA
SCHEMBL11101367 0.81 TBK1 (0.42) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11375110 0.81 TBK1 (0.48) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL11354192 0.81 TBK1 (0.37) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL2901850 0.79 TBK1 (0.72) 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 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
Send feedback