SCHEMBL2638875

SCHEMBL2638875

CCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KCNQ2 O43526 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LPAR1 Q92633 1/20 0.41
GAA P10253 3/20 0.41
CYP2C9 P11712 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL2639714 0.91 HPGD (0.50) MEN1KMT2AHPGDALDH1A1KCNQ2
SCHEMBL2639370 0.89 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1KCNQ2
SCHEMBL2638641 0.89 MEN1 (0.53) MEN1KMT2AHPGDALDH1A1KCNQ2
SCHEMBL4602832 0.88 MEN1 (0.56) MEN1KMT2AHPGDALDH1A1KCNQ2
SCHEMBL2639678 0.86 MEN1 (0.50) MEN1KMT2AHPGDALDH1A1KCNQ2
SCHEMBL2638812 0.85 ALDH1A1 (0.45) MEN1KMT2AHPGDALDH1A1KCNQ2
SCHEMBL2638588 0.85 MEN1 (0.54) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL2640097 0.83 MEN1 (0.54) MEN1KMT2AHPGDALDH1A1KCNQ2
SCHEMBL2638403 0.83 ALDH1A1 (0.56) MEN1KMT2AHPGDALDH1A1KCNQ2
SCHEMBL2638181 0.82 MEN1 (0.52) MEN1KMT2AHPGDALDH1A1SMN1; 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