SCHEMBL9028688

SCHEMBL9028688

Nc1ccc(NC(O)=S)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
HTT P42858 4/20 0.63
GAA P10253 2/20 0.63
HPGD P15428 2/20 0.63
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
RAB9A P51151 2/20 0.54
FFAR4 Q5NUL3 1/20 0.54
LMNA P02545 4/20 0.53
TDP1 Q9NUW8 3/20 0.51
POLB P06746 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.49
PPIA P62937 1/20 0.46
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
PKM P14618 1/20 0.42

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
SCHEMBL2169885 0.85 MAPT (0.59) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL2169882 0.85 MAPT (0.59) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL29674877 0.81 HTT (0.66) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL9028685 0.81 MEN1 (0.58) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL3911774 0.81 HTT (0.66) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL23142513 0.81 MAPT (0.56) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL30767120 0.81 MAPT (0.56) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL11313559 0.81 MAPT (0.53) MAPTALDH1A1SMN1; SMN2HTTGAA
Bicarbonate SCHEMBL28506938 0.80 MEN1 (0.54) MAPTALDH1A1SMN1; SMN2HTTGAA
Bicarbonate SCHEMBL29908570 0.80 MEN1 (0.54) MAPTALDH1A1SMN1; SMN2HTTGAA

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-0549943-B1 Benzimidazole sulfonic acid derivatives as microbicides CIBA GEIGY AG (CH) 1996-05-22 EP disclosed
EP-0549943-A1 Benzimidazole sulfonic acid derivatives as microbicides CIBA-GEIGY AG (CH) 1993-07-07 EP disclosed