SCHEMBL20141002

SCHEMBL20141002

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
LMNA P02545 4/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
GFER P55789 2/20 0.45
POLB P06746 3/20 0.44
GBA1 P04062 1/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MTOR P42345 1/20 0.43
RPTOR Q8N122 1/20 0.43
MLST8 Q9BVC4 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL20140646 0.92 LMNA (0.42) MCL1LMNAMCOLN3GFERPOLB
SCHEMBL20141860 0.84 GRM1 (0.47) DRD2DRD4DRD3MTORRPTOR
SCHEMBL20140827 0.83 MTOR (0.51) LMNAGFERMAPTPKMHTT
SCHEMBL20139906 0.83 POLB (0.47) LMNAMCOLN3GFERPOLBGBA1
SCHEMBL20140960 0.83 MTOR (0.46) LMNADRD2DRD4DRD3ALDH1A1
SCHEMBL20140521 0.83 ALDH1A1 (0.44) LMNAMCOLN3GFERPOLBGBA1
SCHEMBL20141379 0.82 MAPT (0.42) LMNAMAPTPKMDRD2DRD4
SCHEMBL20140882 0.81 PKM (0.47) LMNAMCOLN3GFERPOLBGBA1
SCHEMBL20139954 0.81 POLB (0.45) LMNAMCOLN3GFERPOLBGBA1
SCHEMBL5776077 0.80 GFER (0.45) LMNAMCOLN3GFERMAPTPKM

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