SCHEMBL3544753

SCHEMBL3544753

CN(CCCNCc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
LSS P48449 1/20 0.44
MAPK14 Q16539 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC3 O15379 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PKM P14618 2/20 0.38
MAOA P21397 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
MAPT P10636 1/20 0.37
MTTP P55157 1/20 0.37

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
SCHEMBL3541193 0.91 LSS (0.45) TMEM97SIGMAR1LSSMEN1KMT2A
SCHEMBL3544748 0.81 SLC6A5 (0.37) TMEM97SIGMAR1KMT2AALDH1A1HDAC4
SCHEMBL3540714 0.75 MEN1 (0.43) LSSMAPK14MEN1KMT2AEPHX2
SCHEMBL12334073 0.73 CCKBR (0.49) MAPK14MEN1KMT2AEPHX2PPARA
SCHEMBL3542265 0.72 TMEM97 (0.53) TMEM97SIGMAR1LSSKMT2AALDH1A1
SCHEMBL6753597 0.70 CCR2 (0.52) MAPK14MEN1KMT2AMAOA
SCHEMBL2634030 0.70 MAPK14 (0.76) LSSMAPK14HDAC3HDAC6EPHX2
SCHEMBL13881587 0.69 MEN1 (0.54) MEN1KMT2AHDAC3ALDH1A1HDAC6
SCHEMBL14055925 0.69 LSS (0.52) TMEM97SIGMAR1LSSMAPK14MEN1
SCHEMBL3543299 0.68 MEN1 (0.46) LSSMAPK14MEN1KMT2AALDH1A1

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