SCHEMBL2012239

SCHEMBL2012239

CCCCNC(=O)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 1/20 0.50
FKBP1A P62942 7/20 0.49
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL12628173 1.00 GAA (0.51) GAAALDH1A1KMT2ARAB9AFKBP1A
SCHEMBL12628509 0.89 ALDH1A1 (0.48) GAAALDH1A1KMT2ARAB9AFKBP1A
SCHEMBL2011503 0.89 ALDH1A1 (0.48) GAAALDH1A1KMT2ARAB9AFKBP1A
SCHEMBL2010855 0.88 ALDH1A1 (0.53) GAAALDH1A1KMT2ARAB9AFKBP1A
SCHEMBL12628511 0.88 ALDH1A1 (0.53) GAAALDH1A1KMT2ARAB9AFKBP1A
SCHEMBL2012296 0.87 FKBP1A (0.60) GAAALDH1A1KMT2ARAB9AFKBP1A
SCHEMBL12629077 0.87 FKBP1A (0.60) GAAALDH1A1KMT2ARAB9AFKBP1A
SCHEMBL12628483 0.87 ALDH1A1 (0.50) GAAALDH1A1KMT2ARAB9AFKBP1A
SCHEMBL2010270 0.87 ALDH1A1 (0.50) GAAALDH1A1KMT2ARAB9AFKBP1A
SCHEMBL2017075 0.86 HPGD (0.52) GAAALDH1A1KMT2ARAB9AFKBP1A

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