SCHEMBL20141379

SCHEMBL20141379

CC(C)NC(C)C.CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)c(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
P2RY12 Q9H244 4/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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 0.82 MCL1 (0.46) MAPTGAATP53ALDH1A1KDM4E
SCHEMBL20140646 0.80 LMNA (0.42) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL20140521 0.76 ALDH1A1 (0.44) MAPTTSHRALDH1A1KDM4EL3MBTL1
SCHEMBL20140827 0.75 MTOR (0.51) MAPTGAAALDH1A1KDM4EL3MBTL1
SCHEMBL20139906 0.75 POLB (0.47) MAPTGAATSHRALDH1A1KDM4E
SCHEMBL20140839 0.73 POLB (0.46) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL20140882 0.73 PKM (0.47) MAPTGAATSHRALDH1A1KDM4E
SCHEMBL20139954 0.73 POLB (0.45) MAPTGAATSHRALDH1A1KDM4E
SCHEMBL5776077 0.72 GFER (0.45) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL20139936 0.72 MTOR (0.46) GAAALDH1A1KDM4ELMNA

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