SCHEMBL5309004

SCHEMBL5309004

CC(C)(C)CCCCNc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 4/20 0.44
▸ PRSS1 P07477 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ F2 P00734 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ TMPRSS6 Q8IU80 2/20 0.38
▸ ST14 Q9Y5Y6 2/20 0.38
▸ CHRM2 P08172 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 1/20 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
SCHEMBL5335241 0.94 KCNH3 (0.41) KCNH3PRSS1MAPTALDH1A1F2
SCHEMBL5308535 0.86 MAPT (0.43) KCNH3MAPTALDH1A1MEN1NPC1
SCHEMBL1567049 0.78 KCNH3 (0.65) KCNH3PRSS1MAPTALDH1A1F2
SCHEMBL27421361 0.78 TRPV1 (0.38) PRSS1MAPTALDH1A1MEN1KMT2A
SCHEMBL11560139 0.76 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11070951 0.76 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL23630857 0.76 KCNH3 (0.63) KCNH3PRSS1MAPTALDH1A1F2
SCHEMBL15822970 0.76 KCNH3 (0.63) KCNH3PRSS1MAPTALDH1A1F2
SCHEMBL12932913 0.75 ALDH1A1 (0.40) MAPTALDH1A1MEN1NPC1XBP1
SCHEMBL8244931 0.75 KCNH3 (0.57) KCNH3MAPTALDH1A1MAPK1HTT

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-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 — — WO disclosed
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