SCHEMBL8519148

SCHEMBL8519148

Nc1c(-c2cccc([N+](=O)[O-])c2N)cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 2/20 0.55
▸ TDP1 Q9NUW8 3/20 0.54
▸ GPR35 Q9HC97 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ PTPRC P08575 1/20 0.50
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ MGAM O43451 1/20 0.47
▸ SI P14410 1/20 0.47
▸ MGAM2 Q2M2H8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46

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
SCHEMBL16937116 0.94 TDP1 (0.57) S100A4TDP1GPR35ALDH1A1PTPRC
SCHEMBL65199 0.88 TDP1 (0.61) S100A4TDP1GPR35ALDH1A1MAPT
SCHEMBL28927334 0.87 MEN1 (0.48) S100A4TDP1GPR35ALDH1A1PTPRC
SCHEMBL1251652 0.86 TDP1 (0.69) S100A4TDP1GPR35ALDH1A1PTPRC
SCHEMBL3489768 0.83 ALDH1A1 (0.62) S100A4TDP1ALDH1A1PTPRCMAPT
SCHEMBL8960775 0.82 TDP1 (0.53) S100A4TDP1GPR35ALDH1A1PTPRC
SCHEMBL24548 0.82 TDP1 (0.60) S100A4TDP1GPR35ALDH1A1MAPT
SCHEMBL29448254 0.82 TDP1 (0.60) S100A4TDP1GPR35ALDH1A1MAPT
SCHEMBL15365347 0.82 TDP1 (0.49) S100A4TDP1GPR35ALDH1A1PTPRC
Formamide SCHEMBL28292022 0.80 TDP1 (0.52) S100A4TDP1GPR35ALDH1A1MAPT

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-0929610-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 — — EP disclosed
WO-1998014522-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1998-04-09 — — WO disclosed
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