SCHEMBL2729928

SCHEMBL2729928

COC(=O)c1c(I)c(-c2ccc(OC)cc2)nn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL2730233 0.87 L3MBTL1 (0.47) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2362965 0.83 SCN9A (0.45) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10172563 0.73 PTGDR2 (0.43) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL27006465 0.73 STAT3 (0.49) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL7972107 0.72 RAB9A (0.45) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2731515 0.70 TDP1 (0.43) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10962251 0.70 TP53 (0.57) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10958929 0.70 TP53 (0.57) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL27006451 0.69 LMNA (0.51) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL29272617 0.69 SMN1; SMN2 (0.42) MAPTALDH1A1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632269-B1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2017-03-15 EP disclosed
EP-2632269-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058187-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed