SCHEMBL20140098

SCHEMBL20140098

Cc1cc(C)c(C(=O)O)cc1CN1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
PLA2G1B P04054 1/20 0.56
RAB9A P51151 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
DRD4 P21917 6/20 0.49
DRD3 P35462 6/20 0.49
DRD2 P14416 5/20 0.49
HTR7 P34969 2/20 0.49
HTR1A P08908 1/20 0.48
MTOR P42345 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NOTUM Q6P988 1/20 0.45
HTT P42858 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
SCHEMBL20142241 0.86 MTOR (0.61) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL20140126 0.85 MTOR (0.53) ALDH1A1KDM4EDRD4DRD3DRD2
Hydrochloric Acid SCHEMBL20140671 0.84 MTOR (0.52) ALDH1A1KDM4EDRD4DRD3DRD2
SCHEMBL20140202 0.83 HTR7 (0.55) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL20141432 0.82 MTOR (0.50) ALDH1A1KDM4EDRD4DRD3DRD2
SCHEMBL20139928 0.81 MTOR (0.56) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL20156824 0.81 MTOR (0.56) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL20141569 0.79 RAB9A (0.46) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL20157082 0.79 MYC (0.54) ALDH1A1KDM4EHTR7ATMMAPT
SCHEMBL20141395 0.78 PKM (0.45) ALDH1A1KDM4EPLA2G1BRAB9AATG4B

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