SCHEMBL20140960

SCHEMBL20140960

Cc1cc(C)c(S(=O)(=O)C2CCN(c3ccccc3C#N)CC2)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.46
RPTOR Q8N122 6/20 0.46
MLST8 Q9BVC4 6/20 0.46
DRD4 P21917 5/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 2/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
NOTUM Q6P988 1/20 0.38
GRM5 P41594 1/20 0.38
CHRM4 P08173 1/20 0.38
GMNN O75496 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
SCHEMBL20142111 0.89 MTOR (0.57) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141002 0.83 MCL1 (0.46) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141860 0.78 GRM1 (0.47) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140782 0.78 CHRM4 (0.44) MTORRPTORMLST8DRD4DRD2
SCHEMBL20129637 0.78 MTOR (0.64) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140787 0.77 MTOR (0.44) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140646 0.76 LMNA (0.42) MTORRPTORMLST8DRD4DRD2
SCHEMBL20133551 0.76 MTOR (0.57) MTORRPTORMLST8DRD4DRD2
SCHEMBL20156949 0.76 MTOR (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20157067 0.76 MTOR (0.47) MTORRPTORMLST8DRD4DRD2

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