SCHEMBL9486189

SCHEMBL9486189

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 3/20 0.53
PKM P14618 1/20 0.53
PTPN7 P35236 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CES1 P23141 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CES2 O00748 1/20 0.49
MAPT P10636 2/20 0.48
MGLL Q99685 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL7063519 0.88 GAA (0.65) GAABCL9CTNNB1ALDH1A1KMT2A
Bicarbonate SCHEMBL600121 0.85 GAA (0.57) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL15168 0.85 GAA (0.61) GAABCL9CTNNB1ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL19516242 0.83 GAA (0.59) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL8578508 0.83 GAA (0.59) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL3125295 0.82 GAA (0.62) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL3989423 0.81 GAA (0.62) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL9276769 0.81 GAA (0.57) GAABCL9CTNNB1ALDH1A1KMT2A
Benzene SCHEMBL28222061 0.81 GAA (0.57) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL8741192 0.81 ALDH1A1 (0.60) GAABCL9CTNNB1ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5086096-A None JP disclosed
JP-H0586096-A DIDEOXYNUCLEOTIDE PEPTIDE DERIVATIVE AND ANTI-HIV AGENT CONTAINING THE SAME FUJI YAKUHIN KOGYO KK 1993-04-06 JP disclosed
JP-H00586096-A 0001-01-01 JP disclosed