SCHEMBL19200757

SCHEMBL19200757

CN(C)CCCc1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 20/20 1.00
▸ IKBKE Q14164 7/20 0.72
▸ KDM4E B2RXH2 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ ABCC4 O15439 1/20 0.60
▸ TTR P02766 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ OPRD1 P41143 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ PDE3A Q14432 1/20 0.60
▸ GPR35 Q9HC97 1/20 0.60

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
SCHEMBL19196860 0.89 TBK1 (0.80) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19197555 0.86 TBK1 (0.79) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL9796379 0.84 TBK1 (0.76) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19204351 0.84 TBK1 (0.76) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19181474 0.84 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19182344 0.84 TBK1 (0.77) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19196842 0.82 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19180142 0.81 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19180387 0.81 TBK1 (1.00) TBK1IKBKE
SCHEMBL19182116 0.79 TBK1 (1.00) TBK1IKBKE

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
WO-2017132538-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-03 — — WO disclosed
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