SCHEMBL2638433

SCHEMBL2638433

COC(=O)CCc1ccc(NC(=O)Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
EPHX2 P34913 1/20 0.42
MAPT P10636 7/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
DDR1 Q08345 1/20 0.40
HTT P42858 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2639434 0.94 L3MBTL1 (0.43) RORCEPHX2MAPTALDH1A1MEN1
SCHEMBL2639012 0.91 RORC (0.46) RORCEPHX2MAPTALDH1A1MEN1
SCHEMBL3218393 0.90 RORC (0.43) RORCEPHX2MAPTALDH1A1MEN1
SCHEMBL2639293 0.89 RORC (0.44) RORCEPHX2MAPTALDH1A1MEN1
SCHEMBL2639768 0.88 MAPT (0.47) RORCEPHX2MAPTALDH1A1MEN1
SCHEMBL3836762 0.87 RORC (0.42) RORCEPHX2MAPTALDH1A1MEN1
SCHEMBL2639066 0.87 MEN1 (0.49) RORCEPHX2MAPTALDH1A1MEN1
SCHEMBL2639011 0.86 RORC (0.42) RORCEPHX2MAPTALDH1A1MEN1
SCHEMBL2640022 0.86 RORC (0.46) RORCEPHX2MAPTALDH1A1MEN1
SCHEMBL3837011 0.85 NR1H4 (0.49) RORCEPHX2MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4810529-B2 2011-11-09 JP claimed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP claimed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP claimed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO claimed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed