SCHEMBL2640097

SCHEMBL2640097

CCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)cc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 1/20 0.39
KCNQ2 O43526 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.38
BACE1 P56817 1/20 0.38
TP53 P04637 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
SCHEMBL2638268 0.86 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL2638588 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL2639370 0.84 MEN1 (0.51) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL2638875 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL2638181 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL2638866 0.82 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL2638403 0.82 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL2639714 0.82 HPGD (0.50) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL3220269 0.81 GAA (0.41) ALDH1A1GAA
SCHEMBL2639107 0.79 CA1 (0.53) MEN1KMT2ALMNASMN1; SMN2P2RX7

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