SCHEMBL2638641

SCHEMBL2638641

Cc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 5/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
KCNQ2 O43526 1/20 0.43
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL2638875 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL4602832 0.89 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL2639678 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL4602237 0.86 HPGD (0.48) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL2638515 0.82 CA1 (0.58) CA12CA1CA2CA9
SCHEMBL4604508 0.80 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL2639161 0.79 CA2 (0.59) ALDH1A1LMNAMAPTCA12CA1
SCHEMBL2639714 0.79 HPGD (0.50) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL2639370 0.78 MEN1 (0.51) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL2638619 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDSMN1; 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