SCHEMBL20141103

SCHEMBL20141103

Cc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 3/20 0.57
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
NAMPT P43490 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.49
HSP90AA1 P07900 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 1/20 0.47
RBP4 P02753 1/20 0.47
MTOR P42345 3/20 0.47
RPTOR Q8N122 3/20 0.47
MLST8 Q9BVC4 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL20140952 0.93 NAMPT (0.54) MYCALDH1A1TSHRNAMPTL3MBTL1
SCHEMBL20140833 0.91 MTOR (0.51) MYCALDH1A1TSHRNAMPTL3MBTL1
SCHEMBL20140063 0.90 TSHR (0.62) MYCALDH1A1TSHRNAMPTSMN1; SMN2
SCHEMBL20141157 0.90 TSHR (0.62) MYCALDH1A1TSHRNAMPTSMN1; SMN2
SCHEMBL20156949 0.88 MTOR (0.54) MYCALDH1A1TSHRNAMPTL3MBTL1
SCHEMBL20139958 0.88 NAMPT (0.53) MYCALDH1A1TSHRNAMPTL3MBTL1
SCHEMBL20140604 0.84 NAMPT (0.49) MYCALDH1A1TSHRNAMPTL3MBTL1
SCHEMBL20139856 0.83 NAMPT (0.52) MYCALDH1A1TSHRNAMPTL3MBTL1
SCHEMBL20140344 0.83 PHGDH (0.48) MYCALDH1A1NAMPTDRD2DRD4
SCHEMBL20141360 0.82 NAMPT (0.51) MYCALDH1A1TSHRNAMPTL3MBTL1

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