SCHEMBL20157134

SCHEMBL20157134

Cc1ccc(S(=O)(=O)n2ccc3cc(Br)cc(C(=O)N4CCN(c5ccccc5C#N)CC4)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MTOR P42345 3/20 0.40
RPTOR Q8N122 3/20 0.40
MLST8 Q9BVC4 3/20 0.40
DRD4 P21917 3/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HSD11B1 P28845 1/20 0.38
PHGDH O43175 1/20 0.38
PKM P14618 1/20 0.38
HTR6 P50406 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL20157133 0.88 MTOR (0.39) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL20157131 0.88 CFTR (0.40) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL20142330 0.87 HTR6 (0.45) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL20141590 0.86 HTR6 (0.46) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL20140911 0.77 HTR6 (0.44) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141270 0.77 HTR6 (0.44) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140762 0.76 HTR6 (0.47) ALDH1A1LMNASMN1; SMN2MTORRPTOR
SCHEMBL20157174 0.75 POLB (0.39) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL20157132 0.71 TACR3 (0.47) SMN1; SMN2MTORRPTORMLST8L3MBTL1
SCHEMBL20139916 0.69 MTOR (0.54) ALDH1A1MAPTHTTMEN1KMT2A

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