SCHEMBL2012296

SCHEMBL2012296

O=C(NCCCCc1ccccc1)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.60
GAA P10253 1/20 0.54
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.47
EPHX2 P34913 2/20 0.47

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
SCHEMBL12629077 1.00 FKBP1A (0.60) FKBP1AGAAKMT2AALDH1A1RAB9A
SCHEMBL12628507 0.93 FKBP1A (0.52) FKBP1AGAAKMT2AMEN1
SCHEMBL2012909 0.93 FKBP1A (0.52) FKBP1AGAAKMT2AMEN1
SCHEMBL12629079 0.93 ALDH1A1 (0.53) FKBP1AGAAKMT2AALDH1A1MEN1
SCHEMBL12629076 0.92 FKBP1A (0.51) FKBP1AGAAKMT2AMEN1POLB
SCHEMBL2014281 0.92 FKBP1A (0.51) FKBP1AGAAKMT2AMEN1POLB
SCHEMBL2013886 0.92 FKBP1A (0.51) FKBP1AGAAKMT2AMEN1POLB
SCHEMBL12628519 0.92 FKBP1A (0.51) FKBP1AGAAKMT2AMEN1POLB
SCHEMBL12628173 0.87 GAA (0.51) FKBP1AGAAKMT2AALDH1A1RAB9A
SCHEMBL2012239 0.87 GAA (0.51) FKBP1AGAAKMT2AALDH1A1RAB9A

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