SCHEMBL20140562

SCHEMBL20140562

CON(C)C(=O)c1cc(Br)c(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MLYCD O95822 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCEH1 Q6PIU2 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL20139638 0.85 MLYCD (0.37) HPGDMEN1KMT2AMLYCDTDP1
SCHEMBL30845490 0.85 MLYCD (0.37) HPGDMEN1KMT2AMLYCDTDP1
SCHEMBL16018694 0.82 MEN1 (0.35) HPGDMEN1KMT2AMLYCDTDP1
SCHEMBL13265347 0.79 MLYCD (0.40) MLYCDCLK1DYRK1ADYRK1BALDH1A1
SCHEMBL156978 0.78 ALDH1A1 (0.46) HPGDMEN1KMT2ATDP1CLK1
SCHEMBL1349358 0.78 MEN1 (0.45) MEN1KMT2AMLYCDTDP1CLK1
SCHEMBL2272338 0.78 MLYCD (0.45) HPGDMEN1KMT2AMLYCDTDP1
SCHEMBL15216403 0.78 HPGD (0.59) HPGDMEN1KMT2AMLYCDTDP1
SCHEMBL29696047 0.78 ALDH1A1 (0.46) HPGDMEN1KMT2ATDP1CLK1
SCHEMBL616327 0.77 MEN1 (0.35) HPGDMEN1KMT2AMLYCDTDP1

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