SCHEMBL28299547

SCHEMBL28299547

O=[N+]([O-])c1ccccc1NS

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
ALDH1A1 P00352 2/20 0.60
CASP7 P55210 1/20 0.60
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 6/20 0.53
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
KAT2B Q92831 2/20 0.51
PHGDH O43175 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
IDO1 P14902 1/20 0.49
EPAS1 Q99814 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KCNMA1 Q12791 1/20 0.49
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL397773 0.82 MAPK1 (0.77) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL12655445 0.79 ALDH1A1 (0.56) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL12205174 0.78 MAPK1 (0.60) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL355102 0.78 MAPK1 (0.60) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL728448 0.78 MEN1 (0.61) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL856759 0.78 MAPK1 (0.60) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL950729 0.78 MAPK1 (0.60) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL973213 0.78 MAPK1 (0.60) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL297021 0.78 MAPK1 (0.60) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL373368 0.78 MAPK1 (0.60) MAPK1L3MBTL1TDP1ALDH1A1CASP7

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-105622580-B Benzimidazole as prolyl hydroxylase inhibitors 詹森药业有限公司 2019-06-21 CN disclosed