SCHEMBL2553885

SCHEMBL2553885

CN1CCC(NS(=O)(=O)c2ccc(CNC3CCCC3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
RECQL P46063 1/20 0.56
KCNH2 Q12809 3/20 0.54
HRH3 Q9Y5N1 3/20 0.54
ALDH1A1 P00352 6/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 3/20 0.50
FABP6 P51161 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NAMPT P43490 1/20 0.47

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
SCHEMBL7716923 0.88 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ERECQLKCNH2HRH3
SCHEMBL2555109 0.83 KDM4E (0.48) SMN1; SMN2KDM4ERECQLKCNH2HRH3
SCHEMBL2547933 0.83 KDM4E (0.48) SMN1; SMN2KDM4ERECQLKCNH2HRH3
SCHEMBL7716908 0.83 KDM4E (0.48) SMN1; SMN2KDM4ERECQLKCNH2HRH3
Hydrochloric Acid SCHEMBL2552429 0.82 KDM4E (0.47) SMN1; SMN2KDM4ERECQLKCNH2HRH3
Hydrochloric Acid SCHEMBL2552428 0.82 KDM4E (0.47) SMN1; SMN2KDM4ERECQLKCNH2HRH3
SCHEMBL2551670 0.82 HRH3 (0.47) SMN1; SMN2KDM4ERECQLKCNH2HRH3
SCHEMBL1134916 0.81 KDM4E (0.50) SMN1; SMN2KDM4ERECQLKCNH2HRH3
SCHEMBL2555072 0.81 KCNH2 (0.49) SMN1; SMN2KCNH2HRH3ALDH1A1LMNA
SCHEMBL2553562 0.81 KDM4E (0.48) SMN1; SMN2KDM4ERECQLKCNH2HRH3

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-2011121309-A1 PHENYL SULFONYL DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-06 WO disclosed
WO-2011121309-A1 PHENYL SULFONYL DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-06 WO disclosed