SCHEMBL171858

SCHEMBL171858

CCCC(C)(O)CCNc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KCNH3 Q9ULD8 1/20 0.38
▸ MAPT P10636 6/20 0.37
▸ HTT P42858 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ ABCC9 O60706 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ KCNJ8 Q15842 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
SCHEMBL5308535 0.77 MAPT (0.43) KMT2AMEN1KCNH3MAPTHTT
SCHEMBL5999111 0.75 MAPT (0.48) KMT2AMEN1KCNH3MAPTHTT
Hydrochloric Acid SCHEMBL2149444 0.73 KCNH3 (0.50) KMT2AMEN1KCNH3MAPTHTT
SCHEMBL8613449 0.72 KMT2A (0.42) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL8244931 0.71 KCNH3 (0.57) KMT2AKCNH3MAPTHTTMAPK1
SCHEMBL5335241 0.71 KCNH3 (0.41) KMT2AMEN1KCNH3MAPTHTT
SCHEMBL23084860 0.71 KDM4E (0.38) KMT2AMEN1KCNH3MAPTHTT
SCHEMBL1567049 0.70 KCNH3 (0.65) KMT2AKCNH3MAPTHTTALDH1A1
Hydrochloric Acid SCHEMBL7393433 0.70 KCNH3 (0.60) KMT2AKCNH3MAPTHTTMAPK1
SCHEMBL2064760 0.70 MAPT (0.57) KMT2AMEN1KCNH3MAPTALDH1A1

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
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 — — EP disclosed
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