SCHEMBL10401552

SCHEMBL10401552

Nc1cc(S(=O)(=O)CCO)ccc1Nc1ccc(S(=O)(=O)CCO)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
EPAS1 Q99814 1/20 0.44
CA2 P00918 4/20 0.44
PKM P14618 3/20 0.43
GAA P10253 3/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
NSD2 O96028 1/20 0.43
PLCG1 P19174 1/20 0.43
DNMT1 P26358 1/20 0.43
CASP6 P55212 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH3A1 P30838 4/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
WNK1 Q9H4A3 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9817732 0.85 MAPT (0.59) MAPTPOLBTDP1EPAS1L3MBTL1
SCHEMBL11530736 0.83 ALDH3A1 (0.51) MAPTPOLBTDP1EPAS1L3MBTL1
SCHEMBL9496798 0.82 CA2 (0.51) MAPTPOLBTDP1CA2PKM
SCHEMBL10401890 0.82 MAPT (0.53) MAPTPOLBTDP1EPAS1PKM
SCHEMBL9784323 0.82 NT5E (0.47) MAPTPOLBTDP1EPAS1PKM
SCHEMBL9784327 0.82 NT5E (0.45) MAPTPOLBTDP1EPAS1CA2
SCHEMBL9877924 0.80 PKM (0.64) MAPTPOLBTDP1PKMKMT2A
SCHEMBL9878208 0.80 PKM (0.54) MAPTPOLBTDP1PKMKMT2A
SCHEMBL10603322 0.78 CA2 (0.65) POLBTDP1CA2PKMGAA
SCHEMBL9574410 0.75 CA2 (0.49) MAPTPOLBCA2CA9CA12

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
US-4948919-A DYE INTERMEDIATES HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-14 US disclosed