SCHEMBL365429

SCHEMBL365429

COC(=O)c1c2ccccc2n2cc(OC(CC(=O)O)CN(C)C)ccc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR4A2 P43354 4/20 0.37
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.34
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
ELANE P08246 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL358633 0.92 KMT2A (0.38) TSHRL3MBTL1NR4A2KMT2AKDM4E
SCHEMBL366048 0.91 NR4A2 (0.36) TSHRL3MBTL1NR4A2KMT2AKDM4E
SCHEMBL365515 0.86 NR4A2 (0.35) TSHRL3MBTL1NR4A2KMT2AGAA
SCHEMBL365428 0.85 KMT2A (0.47) L3MBTL1KMT2AKDM4EALDH1A1GAA
SCHEMBL364860 0.80 KMT2A (0.39) TSHRL3MBTL1NR4A2KMT2AKDM4E
SCHEMBL364924 0.78 ALDH1A1 (0.40) L3MBTL1KMT2AKDM4EALDH1A1GAA
SCHEMBL366161 0.78 ELANE (0.37) NR4A2KMT2AKDM4EALDH1A1GAA
SCHEMBL358632 0.77 KMT2A (0.47) L3MBTL1KMT2AKDM4EALDH1A1GAA
SCHEMBL365340 0.77 NR4A2 (0.39) TSHRL3MBTL1NR4A2KMT2AKDM4E
SCHEMBL366305 0.77 NR4A2 (0.41) TSHRL3MBTL1NR4A2KMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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