SCHEMBL20139906

SCHEMBL20139906

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cc1S(=O)(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
GBA1 P04062 1/20 0.47
PKM P14618 1/20 0.46
LMNA P02545 3/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
FGB P02675 1/20 0.43
THRB P10828 1/20 0.43
GFER P55789 1/20 0.43
HSD11B1 P28845 2/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20140882 0.86 PKM (0.47) POLBGBA1PKMLMNAMCOLN3
SCHEMBL20139954 0.84 POLB (0.45) POLBGBA1PKMLMNAMCOLN3
SCHEMBL20140521 0.83 ALDH1A1 (0.44) POLBGBA1PKMLMNAMCOLN3
SCHEMBL20141002 0.83 MCL1 (0.46) POLBGBA1PKMLMNAMCOLN3
SCHEMBL20140839 0.82 POLB (0.46) POLBGBA1PKMLMNAALDH1A1
SCHEMBL5776077 0.76 GFER (0.45) PKMLMNAMCOLN3ALDH1A1KDM4E
SCHEMBL20140827 0.76 MTOR (0.51) PKMLMNAALDH1A1KDM4EMAPT
SCHEMBL20140646 0.76 LMNA (0.42) POLBGBA1LMNAMCOLN3ALDH1A1
SCHEMBL20140016 0.75 HSD11B1 (0.55) LMNAALDH1A1KDM4EL3MBTL1HSD11B1
SCHEMBL20141379 0.75 MAPT (0.42) PKMLMNAALDH1A1KDM4EMAPT

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed