SCHEMBL2014281

SCHEMBL2014281

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.51
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 3/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
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
SCHEMBL12629076 1.00 FKBP1A (0.51) FKBP1AGAAATMTDP1KMT2A
SCHEMBL12629077 0.92 FKBP1A (0.60) FKBP1AGAAKMT2AEPHX2MEN1
SCHEMBL2012296 0.92 FKBP1A (0.60) FKBP1AGAAKMT2AEPHX2MEN1
SCHEMBL2013886 0.91 FKBP1A (0.51) FKBP1AGAAKMT2AMEN1POLB
SCHEMBL12628519 0.91 FKBP1A (0.51) FKBP1AGAAKMT2AMEN1POLB
SCHEMBL12629079 0.91 ALDH1A1 (0.53) FKBP1AGAAKMT2AEPHX2MEN1
SCHEMBL2014843 0.89 ALDH1A1 (0.52) KMT2AMEN1POLB
SCHEMBL12629083 0.89 ALDH1A1 (0.52) KMT2AMEN1POLB
SCHEMBL12628507 0.85 FKBP1A (0.52) FKBP1AGAAKMT2AMEN1
SCHEMBL2012909 0.85 FKBP1A (0.52) 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