SCHEMBL2014319

SCHEMBL2014319

CC(C)(C)[Si](C)(C)OC1CCN(c2c(CC=O)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.37
NPSR1 Q6W5P4 7/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 10/20 0.37
MAPT P10636 7/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 2/20 0.37
MPI P34949 2/20 0.37
L3MBTL1 Q9Y468 5/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
LMNA P02545 8/20 0.35
KDM4E B2RXH2 6/20 0.35
TDP1 Q9NUW8 4/20 0.35
TP53 P04637 4/20 0.35

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
SCHEMBL2012485 0.87 METAP2 (0.41) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2018108 0.86 METAP2 (0.38) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2012724 0.83 METAP2 (0.39) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2013917 0.82 METAP2 (0.43) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2164381 0.81 NPSR1 (0.42) NPSR1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL2014721 0.80 MAPT (0.44) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2163337 0.80 ALDH1A1 (0.36) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2012631 0.79 MAPT (0.40) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2018198 0.79 METAP2 (0.41) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2014016 0.79 MAPT (0.41) METAP2NPSR1ALDH1A1KMT2AMEN1

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed