SCHEMBL20140074

SCHEMBL20140074

Cc1cc(C)c(C(=O)C2CCN(c3ccc(F)cn3)CC2)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPY2R P49146 1/20 0.50
HRH3 Q9Y5N1 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
PRKAA2 P54646 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
MELK Q14680 4/20 0.41
CHRM4 P08173 1/20 0.40
PPARG P37231 1/20 0.39
SCD O00767 1/20 0.39
TP53 P04637 1/20 0.39
HSD11B1 P28845 1/20 0.38
SLC27A1 Q6PCB7 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
SCHEMBL20140860 0.91 MAPT (0.49) MAPTALDH1A1NPY2RHRH3L3MBTL1
SCHEMBL20139941 0.85 ALDH1A1 (0.52) MAPTALDH1A1NPY2RHRH3L3MBTL1
SCHEMBL20140581 0.83 KDM4E (0.52) MAPTALDH1A1HRH3KDM4ELMNA
SCHEMBL20140053 0.78 GRM1 (0.53) CHRM4
SCHEMBL20157095 0.78 GRM1 (0.53) CHRM4
SCHEMBL20157096 0.78 GRM1 (0.53) CHRM4
SCHEMBL16769733 0.74 HRH3 (0.55) MAPTALDH1A1NPY2RHRH3L3MBTL1
SCHEMBL326799 0.73 LMNA (0.55) MAPTALDH1A1NPY2RHRH3L3MBTL1
SCHEMBL20141007 0.72 PKM (0.48) ALDH1A1L3MBTL1POLBKDM4ELMNA
SCHEMBL20139878 0.72 PRKAA2 (0.43) MAPTALDH1A1NPY2RLMNAPRKAA2

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