SCHEMBL20156949

SCHEMBL20156949

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.54
RPTOR Q8N122 5/20 0.54
MLST8 Q9BVC4 5/20 0.54
MYC P01106 2/20 0.51
NAMPT P43490 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GRM5 P41594 1/20 0.47
TACR3 P29371 1/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 1/20 0.47
HTT P42858 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL20141464 0.90 MTOR (0.56) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20140607 0.89 MTOR (0.54) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20140344 0.89 PHGDH (0.48) MTORRPTORMLST8MYCNAMPT
SCHEMBL20140833 0.88 MTOR (0.51) MTORRPTORMLST8MYCNAMPT
SCHEMBL20141103 0.88 MYC (0.57) MTORRPTORMLST8MYCNAMPT
SCHEMBL20140278 0.88 MTOR (0.54) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20139916 0.87 MTOR (0.54) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20140863 0.87 MTOR (0.54) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20140952 0.86 NAMPT (0.54) MTORRPTORMLST8MYCNAMPT
SCHEMBL20139868 0.85 MTOR (0.52) MTORRPTORMLST8NAMPTALDH1A1

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