SCHEMBL20050181

SCHEMBL20050181

COP(=O)(N[C@@H](C)C=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 3/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HCRTR1 O43613 2/20 0.40
HPGD P15428 1/20 0.40
SRC P12931 1/20 0.38
BTN3A1 O00481 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ANPEP P15144 1/20 0.37
LAP3 P28838 1/20 0.37

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
SCHEMBL18464425 0.82 MEN1 (0.45) MEN1KMT2ANPSR1KDM4EL3MBTL1
SCHEMBL13660304 0.81 HPGD (0.46) MEN1KMT2ANPSR1KDM4EL3MBTL1
SCHEMBL14308340 0.81 HPGD (0.46) MEN1KMT2ANPSR1KDM4EL3MBTL1
SCHEMBL20306785 0.81 HPGD (0.46) MEN1KMT2ANPSR1KDM4EL3MBTL1
SCHEMBL13986909 0.79 MEN1 (0.43) MEN1KMT2ANPSR1KDM4EL3MBTL1
SCHEMBL18948777 0.78 BTN3A1 (0.41) MEN1KMT2ANPSR1KDM4EL3MBTL1
SCHEMBL4334505 0.78 KDM4E (0.55) MEN1KMT2ANPSR1KDM4EL3MBTL1
SCHEMBL16576300 0.77 BTN3A1 (0.53) MEN1KMT2ANPSR1KDM4EL3MBTL1
SCHEMBL25709714 0.77 BTN3A1 (0.53) MEN1KMT2ANPSR1KDM4EL3MBTL1
SCHEMBL13660267 0.77 BTN3A1 (0.53) MEN1KMT2ANPSR1KDM4EL3MBTL1

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-2018067241-A1 MACROHETEROCYCLIC NUCLEOSIDE DERIVATIVES AND THEIR ANALOGUES, PRODUCTION AND USE THEREOF ASAVI, LLC (US) 2018-04-12 WO disclosed