Sugi Predict

Sugi Predict / Compounds / SCHEMBL2013886

SCHEMBL2013886

SCHEMBL2013886

O=C(NCCCCc1ccccc1)C1CCC(c2ccccc2)N(S(=O)(=O)c2cccc(F)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 7/20 0.51
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42

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
SCHEMBL12628519 1.00 FKBP1A (0.51) FKBP1AGAAPKMTSHRPOLB
SCHEMBL2012296 0.92 FKBP1A (0.60) FKBP1AGAAPOLBKMT2AMEN1
SCHEMBL12629077 0.92 FKBP1A (0.60) FKBP1AGAAPOLBKMT2AMEN1
SCHEMBL12629076 0.91 FKBP1A (0.51) FKBP1AGAAPOLBKMT2AMEN1
SCHEMBL2014281 0.91 FKBP1A (0.51) FKBP1AGAAPOLBKMT2AMEN1
SCHEMBL2012909 0.91 FKBP1A (0.52) FKBP1AGAAKMT2AMEN1
SCHEMBL12628507 0.91 FKBP1A (0.52) FKBP1AGAAKMT2AMEN1
SCHEMBL12628946 0.88 ALDH1A1 (0.51) PKMTSHRPOLBKMT2AMEN1
SCHEMBL2015115 0.88 ALDH1A1 (0.51) PKMTSHRPOLBKMT2AMEN1
SCHEMBL12629079 0.85 ALDH1A1 (0.53) FKBP1AGAAKMT2AMEN1

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-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 — — WO claimed