SCHEMBL18683061

SCHEMBL18683061

O=[N+]([O-])c1cccc2c1ccn2SI

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
GAA P10253 3/20 0.45
ALDH1A1 P00352 4/20 0.43
GPR35 Q9HC97 2/20 0.39
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.37
NOS1 P29475 1/20 0.37
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 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
SCHEMBL28256635 0.78 TDP1 (0.53) TDP1GAAALDH1A1GPR35POLB
SCHEMBL2475315 0.75 GAA (0.66) TDP1GAAALDH1A1GPR35POLB
SCHEMBL11223006 0.75 TDP1 (0.53) TDP1GAAALDH1A1GPR35POLB
SCHEMBL28294148 0.75 TDP1 (0.53) TDP1GAAALDH1A1GPR35POLB
SCHEMBL28296005 0.75 TDP1 (0.53) TDP1GAAALDH1A1GPR35POLB
SCHEMBL19578647 0.74 ALDH1A1 (0.43) TDP1GAAALDH1A1GPR35NOS1
SCHEMBL28910275 0.72 TDP1 (0.50) TDP1GAAALDH1A1GPR35POLB
SCHEMBL23926472 0.71 TDP1 (0.48) TDP1GAAALDH1A1GPR35HSP90AA1
SCHEMBL12896239 0.71 GAA (0.49) TDP1GAAALDH1A1GPR35POLB
SCHEMBL17422039 0.71 TDP1 (0.48) TDP1GAAALDH1A1GPR35POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855456-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2017-03-29 EP disclosed