SCHEMBL5717045

SCHEMBL5717045

CCOC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.64
ALDH1A1 P00352 5/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 2/20 0.56
GHSR Q92847 1/20 0.56
HCRTR1 O43613 1/20 0.55
HCRTR2 O43614 1/20 0.55
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RAB9A P51151 1/20 0.53
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP13 P45452 1/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL5717188 0.87 FKBP1A (0.63) FKBP1AALDH1A1KMT2ALMNAMEN1
SCHEMBL5717081 0.87 FKBP1A (0.62) FKBP1AALDH1A1KMT2ALMNAMEN1
SCHEMBL5716995 0.85 FKBP1A (0.60) FKBP1AALDH1A1KMT2ALMNAMEN1
SCHEMBL5717142 0.85 FKBP1A (0.60) FKBP1AALDH1A1KMT2ALMNAMEN1
SCHEMBL5717227 0.85 ALDH1A1 (0.64) FKBP1AALDH1A1KMT2ALMNAMEN1
SCHEMBL24072630 0.85 RAB9A (0.64) FKBP1AALDH1A1KMT2ALMNAMEN1
SCHEMBL5717102 0.85 ALDH1A1 (0.64) FKBP1AALDH1A1KMT2ALMNAMEN1
SCHEMBL5717100 0.85 ALDH1A1 (0.64) FKBP1AALDH1A1KMT2ALMNAMEN1
SCHEMBL6801501 0.84 FKBP1A (0.66) FKBP1AALDH1A1KMT2ALMNAMEN1
SCHEMBL20291018 0.84 ALDH1A1 (0.60) FKBP1AALDH1A1KMT2ALMNAMEN1

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