SCHEMBL3544748

SCHEMBL3544748

CN(CCCNCc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cc2ccccc2C(N)=O)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.37
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTGER1 P34995 1/20 0.34
RPS6KB1 P23443 6/20 0.34
AURKA O14965 5/20 0.34
AURKB Q96GD4 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SCN9A Q15858 2/20 0.34
KMT2A Q03164 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MAPK8 P45983 1/20 0.32

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
SCHEMBL3544753 0.81 TMEM97 (0.46) SLC6A5HDAC4HDAC6ALDH1A1TMEM97
SCHEMBL6753601 0.78 SCN9A (0.38) PTGER1RPS6KB1AURKAAURKBKDM4E
SCHEMBL3541193 0.77 LSS (0.45) SMN1; SMN2TMEM97SIGMAR1KMT2A
SCHEMBL6753593 0.72 CCR2 (0.40) RPS6KB1AURKAAURKBKDM4EALDH1A1
SCHEMBL4425790 0.68 KDM4E (0.53) SLC6A5RPS6KB1AURKAAURKBKDM4E
SCHEMBL3545170 0.66 POLB (0.41) KDM4EALDH1A1SMN1; SMN2SIGMAR1KMT2A
SCHEMBL3351112 0.62 KDM6B (0.46) SLC6A5HDAC6SCN8ATMEM97SIGMAR1
SCHEMBL4423057 0.61 SCN8A (0.51) ALDH1A1SCN8ATMEM97SIGMAR1SCN9A
SCHEMBL23377632 0.61 SCN8A (0.53) ALDH1A1SMN1; SMN2SCN8A
SCHEMBL6009391 0.60 SCN8A (0.49) SLC6A5HDAC4HDAC6SCN8A

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
US-7683078-B2 Arylsulfonamide derivatives as C-Jun-N-Terminal Kinases (JNK's) inhibitors LABORATOIRES SERONO S.A. (CH) 2010-03-23 US claimed