SCHEMBL27717231

SCHEMBL27717231

Nc1ccc(OS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ PTPN7 P35236 1/20 0.38
▸ PTPN12 Q05209 1/20 0.38
▸ PTPN22 Q9Y2R2 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ VCAM1 P19320 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 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
SCHEMBL27738294 0.84 NR4A1 (0.38) HTTALDH1A1MAPTTDP1POLB
SCHEMBL544435 0.82 TDP1 (0.43) HTTALDH1A1MAPTTDP1MEN1
SCHEMBL3101957 0.81 MAPT (0.46) ALDH1A1MAPTTDP1MEN1POLB
SCHEMBL11627382 0.79 ALPL (0.47) ALDH1A1MAPTTDP1MEN1POLB
SCHEMBL11625776 0.77 ALPL (0.43) HTTALDH1A1MAPTTDP1MEN1
SCHEMBL11623279 0.75 SMN1; SMN2 (0.53) ALDH1A1MAPTTDP1MEN1POLB
SCHEMBL11623960 0.74 APEX1 (0.57) ALDH1A1MAPTTDP1MEN1POLB
SCHEMBL11290098 0.74 ALDH1A1 (0.51) HTTALDH1A1MAPTTDP1MEN1
SCHEMBL11627411 0.74 SMN1; SMN2 (0.51) ALDH1A1MAPTTDP1MEN1POLB
SCHEMBL11627076 0.73 MEN1 (0.46) ALDH1A1MAPTTDP1MEN1POLB

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
CN-101273019-A Novel benzimidazole and benzothiazole derivatives, method for preparing same, use thereof as drugs, pharmaceutical compositions and novel use especially as C-Met inhibitors AVENTIS PHARMA SA (FR) 2008-09-24 — — CN disclosed
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