SCHEMBL12826050

SCHEMBL12826050

COCC(c1ccccc1)C1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 9/20 0.51
▸ SLC6A4 P31645 9/20 0.51
▸ SLC6A3 Q01959 9/20 0.51
▸ PKM P14618 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ IDO1 P14902 2/20 0.46
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL27391812 0.79 PKM (0.59) SLC6A2SLC6A4SLC6A3PKMCTDSP1
SCHEMBL2465315 0.78 PKM (0.62) SLC6A2SLC6A3PKMCTDSP1MEN1
SCHEMBL11854679 0.78 MEN1 (0.48) SLC6A2SLC6A3PKMCTDSP1MEN1
SCHEMBL11548405 0.78 KMT2A (0.55) SLC6A2SLC6A4SLC6A3PKMCTDSP1
SCHEMBL27788382 0.77 MEN1 (0.50) SLC6A2SLC6A3PKMCTDSP1MEN1
SCHEMBL27482765 0.77 MEN1 (0.50) SLC6A2SLC6A4SLC6A3PKMCTDSP1
Methyl Alcohol SCHEMBL27363776 0.76 PKM (0.56) SLC6A2SLC6A3PKMCTDSP1MEN1
SCHEMBL7428096 0.76 MEN1 (0.55) PKMCTDSP1MEN1KMT2AIDO1
SCHEMBL11312192 0.76 MEN1 (0.51) PKMCTDSP1MEN1KMT2AIDO1
SCHEMBL3126812 0.76 MEN1 (0.51) SLC6A2SLC6A3PKMCTDSP1MEN1

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-2295413-A1 Indazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-16 — — EP disclosed
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