SCHEMBL20140223

SCHEMBL20140223

CC(C)(C)OC(=O)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
MAPT P10636 8/20 0.57
LMNA P02545 5/20 0.57
KCNH2 Q12809 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MET P08581 1/20 0.48
MAPK8 P45983 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BACE1 P56817 1/20 0.41
GPR119 Q8TDV5 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
SCHEMBL2977592 0.92 ALDH1A1 (0.63) ALDH1A1MAPTLMNAKCNH2MEN1
SCHEMBL2973720 0.86 ALDH1A1 (0.73) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL31220479 0.85 ALDH1A1 (0.56) ALDH1A1MAPTLMNAKCNH2MEN1
SCHEMBL27432559 0.84 ALDH1A1 (0.45) ALDH1A1MAPTLMNAKCNH2MEN1
SCHEMBL2969622 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNAKCNH2MEN1
SCHEMBL4435451 0.82 MAPT (0.63) ALDH1A1MAPTLMNAKMT2AMET
SCHEMBL30998112 0.82 MAPT (0.63) ALDH1A1MAPTLMNAKMT2AMET
SCHEMBL1063164 0.81 MAPT (0.52) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1247295 0.81 MAPT (0.59) ALDH1A1MAPTLMNAKCNH2MEN1
SCHEMBL29608605 0.80 MAPT (0.58) ALDH1A1MAPTLMNAMEN1KMT2A

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