SCHEMBL5717142

SCHEMBL5717142

C=Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)OCC)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 11/20 0.60
HCRTR1 O43613 1/20 0.57
HCRTR2 O43614 1/20 0.57
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL5717045 0.85 FKBP1A (0.64) FKBP1AHCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL5717188 0.84 FKBP1A (0.63) FKBP1AKMT2AALDH1A1LMNAMEN1
SCHEMBL5717081 0.84 FKBP1A (0.62) FKBP1AKMT2AALDH1A1LMNAMEN1
SCHEMBL5716995 0.82 FKBP1A (0.60) FKBP1AKMT2AALDH1A1LMNAMEN1
SCHEMBL5717227 0.82 ALDH1A1 (0.64) FKBP1AHCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL24072630 0.82 RAB9A (0.64) FKBP1AKMT2AALDH1A1LMNAMEN1
SCHEMBL5717102 0.82 ALDH1A1 (0.64) FKBP1AHCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL5717100 0.82 ALDH1A1 (0.64) FKBP1AHCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL6801501 0.81 FKBP1A (0.66) FKBP1AKMT2AALDH1A1LMNAMEN1
SCHEMBL20291018 0.81 ALDH1A1 (0.60) FKBP1AKMT2AALDH1A1LMNAMEN1

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
EP-1664010-A1 SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS Vernalis (R&D) Limited (GB) 2006-06-07 EP disclosed
WO-2005068448-A1 SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-07-28 WO disclosed