SCHEMBL8588673

SCHEMBL8588673

O=C1c2cccc([N+](=O)[O-])c2NCC1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PTPRC P08575 1/20 0.40
ACHE P22303 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GPR35 Q9HC97 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 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
SCHEMBL28095013 0.80 NR4A1 (0.40) MAPTKMT2AACHETDP1ALDH1A1
SCHEMBL8588432 0.79 S100A4 (0.40) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL6196680 0.74 TSHR (0.41) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL6196688 0.74 TSHR (0.41) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL2062086 0.72 S100A4 (0.47) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL20501148 0.72 S100A4 (0.44) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL20500981 0.72 S100A4 (0.44) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL7904233 0.71 TDP1 (0.41) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL6200472 0.71 MAPT (0.57) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL2085862 0.69 S100A4 (0.44) S100A4MAPTRECQLKMT2AMCL1

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-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed