SCHEMBL20051914

SCHEMBL20051914

Cc1cc2c(=O)c3cc(C(C)C)ccc3oc2nc1N

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 20/20 0.71
▸ IKBKE Q14164 10/20 0.71
▸ KDM4E B2RXH2 1/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ ABCC4 O15439 1/20 0.71
▸ TTR P02766 1/20 0.71
▸ GAA P10253 1/20 0.71
▸ PKM P14618 1/20 0.71
▸ ADRA1A P35348 1/20 0.71
▸ OPRD1 P41143 1/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ PDE4D Q08499 1/20 0.71
▸ PDE3A Q14432 1/20 0.71
▸ GPR35 Q9HC97 1/20 0.71

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
SCHEMBL19196681 0.87 TBK1 (0.64) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL20693662 0.86 TBK1 (0.69) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19204321 0.86 TBK1 (0.73) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL20694089 0.84 TBK1 (0.81) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL6206524 0.83 TBK1 (0.65) TBK1IKBKEKDM4ENPC1ABCC4
Amlexanox SCHEMBL29642 0.83 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19182273 0.83 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
Amlexanox SCHEMBL29441547 0.83 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
Amlexanox SCHEMBL5058549 0.83 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
Amlexanox SCHEMBL29381739 0.83 TBK1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944652-B2 Deuterated amlexanox THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-04-17 — — US disclosed
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