SCHEMBL24311016

SCHEMBL24311016

O=C(Oc1ccc([N+](=O)[O-])cc1)SOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MGLL Q99685 1/20 0.46
PTGS2 P35354 1/20 0.44

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
SCHEMBL21528095 0.81 GAA (0.60) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL27355973 0.79 GAA (0.58) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL3701908 0.78 GAA (0.61) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL7063519 0.77 GAA (0.65) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL26374 0.77 GAA (0.65) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL10309184 0.77 BCL9 (0.60) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL3125295 0.76 GAA (0.62) GAABCL9CTNNB1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7895043 0.76 GAA (0.62) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL23084891 0.76 GAA (0.62) GAABCL9CTNNB1KMT2AALDH1A1
SCHEMBL26375 0.76 GAA (0.62) GAABCL9CTNNB1KMT2AALDH1A1

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
EP-3722285-B1 PROCESS FOR PREPARING MIRABEGRON ENACARBIL TIEFENBACHER ALFRED E GMBH & CO KG (DE) 2022-03-30 EP disclosed