SCHEMBL6227136

SCHEMBL6227136

CC(=O)Nc1ccc(Sc2ccccc2CNc2cc(Cl)cc(CCO)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.36
BLM P54132 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOD2 Q9HC29 1/20 0.36
MAPT P10636 3/20 0.36
SLC6A9 P48067 1/20 0.35
BACE1 P56817 1/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 1/20 0.34
SLC6A4 P31645 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4346370 0.88 CTSD (0.41) LMNASMN1; SMN2POLBALDH1A1BLM
SCHEMBL6227024 0.87 SLC6A4 (0.42) LMNASMN1; SMN2POLBALDH1A1BLM
SCHEMBL4351799 0.87 LMNA (0.40) LMNASMN1; SMN2POLBALDH1A1BLM
SCHEMBL6225937 0.86 SLC6A4 (0.38) LMNASMN1; SMN2POLBBLMMAPT
SCHEMBL6671646 0.86 DDR1 (0.38) LMNASMN1; SMN2ALDH1A1BLMSLC6A4
SCHEMBL6230263 0.86 MAPT (0.37) LMNASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL4351061 0.84 LMNA (0.40) LMNASMN1; SMN2POLBALDH1A1BLM
SCHEMBL6668436 0.83 KMT2A (0.51) LMNAPOLBMAPTSLC6A4KDM4E
SCHEMBL4354635 0.83 LMNA (0.44) LMNASMN1; SMN2POLBALDH1A1BLM
SCHEMBL6229113 0.82 HTR1A (0.35) LMNASMN1; SMN2POLBALDH1A1BLM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed