SCHEMBL2639714

SCHEMBL2639714

CCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KCNQ2 O43526 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
LPAR1 Q92633 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
STAT3 P40763 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL2638875 0.91 MEN1 (0.52) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2638812 0.88 ALDH1A1 (0.45) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2639370 0.86 MEN1 (0.51) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2638403 0.86 ALDH1A1 (0.56) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2638588 0.82 MEN1 (0.54) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2640097 0.82 MEN1 (0.54) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2638181 0.80 MEN1 (0.52) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2638866 0.80 ALDH1A1 (0.47) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2638268 0.79 ALDH1A1 (0.44) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2638641 0.79 MEN1 (0.53) HPGDALDH1A1MEN1KMT2ASMN1; SMN2

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