SCHEMBL2013179

SCHEMBL2013179

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.65
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 3/20 0.46
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 3/20 0.44
FKBP1A P62942 2/20 0.43
LMNA P02545 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL12628176 1.00 HPGD (0.65) HPGDKMT2AALDH1A1RAB9AGAA
SCHEMBL2017075 0.90 HPGD (0.52) HPGDKMT2AALDH1A1RAB9AGAA
SCHEMBL12628508 0.90 HPGD (0.52) HPGDKMT2AALDH1A1RAB9AGAA
SCHEMBL2010855 0.87 ALDH1A1 (0.53) HPGDKMT2AALDH1A1RAB9AGAA
SCHEMBL12628511 0.87 ALDH1A1 (0.53) HPGDKMT2AALDH1A1RAB9AGAA
SCHEMBL2010270 0.86 ALDH1A1 (0.50) HPGDKMT2AALDH1A1RAB9AGAA
SCHEMBL12628173 0.86 GAA (0.51) HPGDKMT2AALDH1A1RAB9AGAA
SCHEMBL12628483 0.86 ALDH1A1 (0.50) HPGDKMT2AALDH1A1RAB9AGAA
SCHEMBL2012239 0.86 GAA (0.51) HPGDKMT2AALDH1A1RAB9AGAA
SCHEMBL2011503 0.84 ALDH1A1 (0.48) HPGDKMT2AALDH1A1RAB9AGAA

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