SCHEMBL2010052

SCHEMBL2010052

O=S(=O)(c1ccccc1)N1CC(N2CCCCC2)CCC1C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
GAA P10253 3/20 0.59
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46
MMP1 P03956 2/20 0.44
MMP3 P08254 2/20 0.44
MMP7 P09237 2/20 0.44
HTR6 P50406 1/20 0.44
LMNA P02545 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6813845 0.79 ALDH1A1 (0.60) KDM4EGAAALDH1A1KMT2ATSHR
SCHEMBL12631368 0.78 LMNA (0.65) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2019135 0.73 HPGD (0.53) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL10724386 0.72 ALDH1A1 (1.00) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL13217943 0.71 ALDH1A1 (0.58) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL31388283 0.70 ALDH1A1 (0.84) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL8745861 0.68 MCOLN3 (0.54) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL7050097 0.67 PSEN1 (0.54) KDM4EGAAALDH1A1KMT2ATSHR
SCHEMBL10445162 0.67 ALDH1A1 (0.85) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL1902263 0.67 ALDH1A1 (0.85) KDM4EGAAALDH1A1MEN1KMT2A

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-2011073277-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS Kv1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO claimed