SCHEMBL2639288

SCHEMBL2639288

CCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(C#N)cc(C#N)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RORC P51449 8/20 0.41
P2RX7 Q99572 1/20 0.41
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPM4 Q8TD43 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
GPR35 Q9HC97 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL2638392 0.90 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL2639151 0.89 LMNA (0.45) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL2638866 0.87 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL2638730 0.86 CA1 (0.52) RORC
SCHEMBL2638812 0.85 ALDH1A1 (0.45) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL2638268 0.84 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL2639652 0.81 CA1 (0.43) RORC
SCHEMBL2638989 0.81 CA1 (0.48) MEN1KMT2ARORCSMN1; SMN2POLB
SCHEMBL2639370 0.79 MEN1 (0.51) ALDH1A1HPGDMEN1KMT2AP2RX7
SCHEMBL2638588 0.79 MEN1 (0.54) ALDH1A1HPGDMEN1KMT2AP2RX7

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