SCHEMBL9342102

SCHEMBL9342102

O=[N+]([O-])c1cc[c]c(Cl)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
FASN P49327 1/20 0.39
PIN1 Q13526 1/20 0.39
KIF18A Q8NI77 1/20 0.38
FBP1 P09467 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
S100A4 P26447 2/20 0.37
PTPRC P08575 1/20 0.37
HCRTR1 O43613 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
VCAM1 P19320 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11502537 0.81 ALDH1A1 (0.46) ALDH1A1TDP1CRHBPCRHR2FASN
SCHEMBL7821293 0.80 TDP1 (0.44) ALDH1A1TDP1CRHBPCRHR2FBP1
SCHEMBL27752933 0.78 FBP1 (0.45) ALDH1A1TDP1CRHBPCRHR2FBP1
SCHEMBL11633200 0.76 ALDH1A1 (0.41) ALDH1A1TDP1CRHBPCRHR2FBP1
SCHEMBL5747018 0.74 TDP1 (0.50) ALDH1A1TDP1KMT2AMEN1TSHR
SCHEMBL4369183 0.74 ALDH1A1 (0.39) ALDH1A1TDP1CRHBPCRHR2FASN
SCHEMBL28221727 0.74 TDP1 (0.63) ALDH1A1TDP1CRHBPCRHR2FBP1
SCHEMBL30462497 0.74 TDP1 (0.53) ALDH1A1TDP1CRHBPCRHR2FASN
SCHEMBL15987733 0.74 TDP1 (0.53) ALDH1A1TDP1CRHBPCRHR2FASN
SCHEMBL9369721 0.73 FASN (0.39) ALDH1A1TDP1CRHBPCRHR2FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367002-B1 Carbonic-acid esters of polysaccharides and process for their preparation WOLFF WALSRODE AG (DE) 1994-06-15 EP disclosed
EP-0367002-A1 Carbonic-acid esters of polysaccharides and process for their preparation Wolff Walsrode Aktiengesellschaft (DE) 1990-05-09 EP disclosed