SCHEMBL6535649

SCHEMBL6535649

O=Cc1ccccc1-c1c(Cl)cccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ERN1 O75460 2/20 0.39
AR P10275 1/20 0.36
XDH P47989 1/20 0.36
CYP2A6 P11509 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA2A P29274 1/20 0.35
PTPRC P08575 1/20 0.35

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
SCHEMBL10718432 0.94 TDP1 (0.48) TDP1MEN1KMT2ALMNATHRB
SCHEMBL10533695 0.92 TDP1 (0.46) TDP1MEN1KMT2ALMNATHRB
SCHEMBL22046775 0.85 ALDH1A1 (0.42) TDP1MEN1KMT2ALMNATHRB
SCHEMBL7864372 0.85 ADORA2A (0.46) TDP1MEN1KMT2ALMNATHRB
SCHEMBL29899283 0.85 ALDH1A1 (0.52) TDP1MEN1KMT2ALMNATHRB
SCHEMBL14877176 0.85 ALDH1A1 (0.54) TDP1MEN1KMT2ALMNATHRB
SCHEMBL18167321 0.83 ALDH1A1 (0.41) TDP1MEN1KMT2ALMNATHRB
SCHEMBL31134108 0.81 PDK2 (0.37) TDP1MEN1KMT2ALMNATHRB
SCHEMBL1547476 0.81 TDP1 (0.52) TDP1MEN1KMT2ALMNATHRB
SCHEMBL976750 0.81 LMNA (0.52) TDP1MEN1KMT2ALMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147118-A4 SUBSTITUTED ALPHA-LINKED DISACCHARIDES UNIV PRINCETON (US) 2004-01-28 EP disclosed
EP-1147129-A4 SACCHARIDES LINKED TO COMPOUNDS THAT BIND CELL-SURFACE PEPTIDES OR PROTEINS UNIV PRINCETON (US) 2003-01-15 EP disclosed
EP-1147129-A1 SACCHARIDES LINKED TO COMPOUNDS THAT BIND CELL-SURFACE PEPTIDES OR PROTEINS Princeton University (US) 2001-10-24 EP disclosed
EP-1147118-A1 SUBSTITUTED ALPHA-LINKED DISACCHARIDES Princeton University (US) 2001-10-24 EP disclosed
WO-2000042052-A1 SUBSTITUTED ALPHA-LINKED DISACCHARIDES PRINCETON UNIVERSITY (US) 2000-07-20 WO disclosed
WO-2000042067-A1 SACCHARIDES LINKED TO COMPOUNDS THAT BIND CELL-SURFACE PEPTIDES OR PROTEINS PRINCETON UNIVERSITY (US) 2000-07-20 WO disclosed