SCHEMBL5717023

SCHEMBL5717023

CCOC(=O)C1CCCCN1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.52
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5961946 0.80 EPHX2 (0.51) EPHX2ALDH1A1LMNAKDM4E
SCHEMBL9727246 0.77 FKBP1A (0.46) FKBP1AALDH1A1KMT2AKDM4EMEN1
SCHEMBL5717121 0.75 ALDH1A1 (0.56) FKBP1AALDH1A1KMT2AKDM4EMEN1
SCHEMBL5716995 0.74 FKBP1A (0.60) FKBP1AALDH1A1KMT2ALMNAKDM4E
SCHEMBL5717026 0.74 FKBP1A (0.50) FKBP1AALDH1A1KMT2AKDM4EMEN1
SCHEMBL5717019 0.73 HCRTR1 (0.60) FKBP1AALDH1A1KMT2ALMNAKDM4E
SCHEMBL15380421 0.72 FKBP1A (0.51) FKBP1AALDH1A1KMT2ALMNAKDM4E
SCHEMBL5717045 0.72 FKBP1A (0.64) FKBP1AALDH1A1KMT2ALMNAKDM4E
SCHEMBL5717039 0.72 FKBP1A (0.58) FKBP1AALDH1A1KMT2ALMNAKDM4E
SCHEMBL9727257 0.72 FKBP1A (0.43) FKBP1AALDH1A1KMT2AKDM4EMEN1

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