SCHEMBL11125441

SCHEMBL11125441

CONc1nc2c(=O)c3cc(C(C)C)ccc3oc2cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 11/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ IKBKE Q14164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ PTPN1 P18031 1/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 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
SCHEMBL11099321 0.91 TBK1 (0.52) TBK1NPC1RAB9AIKBKEKDM4E
SCHEMBL11394398 0.89 TBK1 (0.43) TBK1NPC1RAB9AIKBKEKDM4E
SCHEMBL11098817 0.86 RAB9A (0.43) TBK1NPC1RAB9AIKBKEKDM4E
SCHEMBL11102394 0.83 TBK1 (0.48) TBK1NPC1RAB9AIKBKEKDM4E
SCHEMBL11101367 0.80 TBK1 (0.42) TBK1NPC1RAB9AIKBKEKDM4E
SCHEMBL11102016 0.80 TBK1 (0.49) TBK1NPC1RAB9AIKBKEKDM4E
SCHEMBL11125444 0.79 TBK1 (0.47) TBK1NPC1RAB9AIKBKEKDM4E
SCHEMBL11096162 0.79 TBK1 (0.54) TBK1NPC1RAB9AIKBKEKDM4E
SCHEMBL11392057 0.79 RAB9A (0.43) TBK1NPC1RAB9AIKBKEKDM4E
SCHEMBL2901850 0.76 TBK1 (0.72) TBK1NPC1RAB9AIKBKEKDM4E

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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