SCHEMBL2012885

SCHEMBL2012885

O=C(NCc1ccccc1)C1CCC(C2CCCCC2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
FKBP1A P62942 2/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 3/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL2019135 0.83 HPGD (0.53) ALDH1A1KMT2AMEN1USP2HPGD
SCHEMBL2011504 0.81 ALDH1A1 (0.54) ALDH1A1FKBP1AKMT2AMEN1USP2
SCHEMBL12628159 0.81 ALDH1A1 (0.54) ALDH1A1FKBP1AKMT2AMEN1USP2
SCHEMBL12631368 0.79 LMNA (0.65) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL12628292 0.77 KMT2A (0.55) ALDH1A1KMT2AMEN1PKM
SCHEMBL2015653 0.77 KMT2A (0.55) ALDH1A1KMT2AMEN1PKM
SCHEMBL13571191 0.76 FKBP1A (0.77) ALDH1A1FKBP1A
SCHEMBL2012438 0.74 KMT2A (0.53) ALDH1A1FKBP1AKMT2AMEN1PKM
SCHEMBL12629080 0.74 ALDH1A1 (0.60) ALDH1A1FKBP1AKMT2AMEN1SMN1; SMN2
SCHEMBL2011582 0.74 ALDH1A1 (0.60) ALDH1A1FKBP1AKMT2AMEN1SMN1; SMN2

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 2 patents. 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
WO-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed