SCHEMBL365045

SCHEMBL365045

CN(CCOC(=O)c1c2ccccc2n2cc(OCC#N)ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GPR119 Q8TDV5 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
APAF1 O14727 1/20 0.32
G6PD P11413 1/20 0.32
PABPC1 P11940 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
BRD4 O60885 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PSEN1 P49768 1/20 0.32

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
SCHEMBL364443 0.87 ALDH1A1 (0.45) MAPTL3MBTL1TSHRALDH1A1MEN1
SCHEMBL365044 0.86 KMT2A (0.47) PDK2MAPTL3MBTL1TSHRALDH1A1
SCHEMBL366448 0.85 GPR119 (0.38) MAPTL3MBTL1TSHRALDH1A1GPR119
SCHEMBL364883 0.84 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL364990 0.82 ALDH1A1 (0.36) MAPTL3MBTL1TSHRALDH1A1MEN1
SCHEMBL366450 0.82 SMN1; SMN2 (0.46) TSHRALDH1A1MEN1KMT2A
SCHEMBL366244 0.82 PSEN1 (0.41) MAPTL3MBTL1TSHRALDH1A1MEN1
SCHEMBL365607 0.82 ALDH1A1 (0.35) MAPTL3MBTL1TSHRALDH1A1MEN1
SCHEMBL366164 0.81 TSHR (0.39) MAPTL3MBTL1TSHRALDH1A1MEN1
SCHEMBL367540 0.81 PSEN1 (0.45) MAPTL3MBTL1TSHRALDH1A1MEN1

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed