SCHEMBL2010855

SCHEMBL2010855

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 1/20 0.53
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.47
FKBP1A P62942 2/20 0.46
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 4/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 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
SCHEMBL12628511 1.00 ALDH1A1 (0.53) ALDH1A1KMT2ARAB9AGAAHPGD
SCHEMBL2012055 0.91 LMNA (0.48) ALDH1A1KMT2ARAB9AGAAHPGD
SCHEMBL12632352 0.91 LMNA (0.48) ALDH1A1KMT2ARAB9AGAAHPGD
SCHEMBL12628483 0.88 ALDH1A1 (0.50) ALDH1A1KMT2ARAB9AGAAHPGD
SCHEMBL12628173 0.88 GAA (0.51) ALDH1A1KMT2ARAB9AGAAHPGD
SCHEMBL2012239 0.88 GAA (0.51) ALDH1A1KMT2ARAB9AGAAHPGD
SCHEMBL2010270 0.88 ALDH1A1 (0.50) ALDH1A1KMT2ARAB9AGAAHPGD
SCHEMBL2013179 0.87 HPGD (0.65) ALDH1A1KMT2ARAB9AGAAHPGD
SCHEMBL12628176 0.87 HPGD (0.65) ALDH1A1KMT2ARAB9AGAAHPGD
SCHEMBL12628159 0.86 ALDH1A1 (0.54) ALDH1A1KMT2ARAB9AGAAHPGD

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