SCHEMBL2017075

SCHEMBL2017075

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 3/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.42
FKBP1A P62942 3/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL12628508 1.00 HPGD (0.52) HPGDALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL12628176 0.90 HPGD (0.65) HPGDALDH1A1KMT2ARAB9AGAA
SCHEMBL2013179 0.90 HPGD (0.65) HPGDALDH1A1KMT2ARAB9AGAA
SCHEMBL12628173 0.86 GAA (0.51) HPGDALDH1A1KMT2ARAB9AGAA
SCHEMBL2012239 0.86 GAA (0.51) HPGDALDH1A1KMT2ARAB9AGAA
SCHEMBL2010855 0.85 ALDH1A1 (0.53) HPGDALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL12628511 0.85 ALDH1A1 (0.53) HPGDALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL2010270 0.84 ALDH1A1 (0.50) HPGDALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL12628483 0.84 ALDH1A1 (0.50) HPGDALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL2011503 0.82 ALDH1A1 (0.48) HPGDALDH1A1KMT2ARAB9AGAA

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