SCHEMBL20140646

SCHEMBL20140646

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.41
DRD4 P21917 5/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 2/20 0.40
MCL1 Q07820 1/20 0.40
GFER P55789 1/20 0.39
MAPT P10636 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
POLB P06746 2/20 0.39
GBA1 P04062 1/20 0.39
MTOR P42345 1/20 0.38
RPTOR Q8N122 1/20 0.38
MLST8 Q9BVC4 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL20141002 0.92 MCL1 (0.46) LMNAHTTGAAMAPK1KMT2A
SCHEMBL20141379 0.80 MAPT (0.42) LMNAGAAKMT2AKDM4EDRD4
SCHEMBL20140521 0.78 ALDH1A1 (0.44) LMNAHTTKDM4EDRD4DRD2
SCHEMBL20141860 0.77 GRM1 (0.47) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20140827 0.76 MTOR (0.51) LMNAHTTGAAMAPK1KMT2A
SCHEMBL20139906 0.76 POLB (0.47) LMNAHTTGAAMAPK1KMT2A
SCHEMBL20140960 0.76 MTOR (0.46) LMNAKDM4EDRD4DRD2DRD3
SCHEMBL5776077 0.75 GFER (0.45) LMNAKDM4EDRD4DRD2DRD3
SCHEMBL20140839 0.75 POLB (0.46) LMNAHTTKDM4EDRD4DRD2
SCHEMBL20140882 0.74 PKM (0.47) LMNAHTTGAAKDM4EGFER

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