SCHEMBL9028685

SCHEMBL9028685

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.58
KMT2A Q03164 10/20 0.58
MAPT P10636 8/20 0.58
RAB9A P51151 3/20 0.58
HTT P42858 4/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 2/20 0.56
HPGD P15428 1/20 0.56
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
FFAR4 Q5NUL3 1/20 0.50
TSHR P16473 1/20 0.49
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) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL2169882 0.85 MAPT (0.59) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL3911774 0.84 HTT (0.66) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL29674877 0.84 HTT (0.66) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL11141519 0.81 MEN1 (0.55) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL23142513 0.81 MAPT (0.56) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL30767120 0.81 MAPT (0.56) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL9028688 0.81 MAPT (0.63) MEN1KMT2AMAPTRAB9AHTT
Bicarbonate SCHEMBL29908570 0.80 MEN1 (0.54) MEN1KMT2AMAPTRAB9AHTT
Bicarbonate SCHEMBL28506938 0.80 MEN1 (0.54) MEN1KMT2AMAPTRAB9AHTT

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