SCHEMBL9313016

SCHEMBL9313016

O=[N+]([O-])c1ccc(Cl)c(N=Cc2ccccc2O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ MAPT P10636 6/20 0.52
▸ HTT P42858 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ DUSP3 P51452 1/20 0.49
▸ PTPN5 P54829 1/20 0.49
▸ PTPN11 Q06124 1/20 0.49
▸ FNTA P49354 1/20 0.49

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
SCHEMBL9313011 1.00 CA12 (0.54) CA12CA2CA9MEN1KMT2A
SCHEMBL13786955 0.89 CA12 (0.60) CA12CA2CA9MEN1KMT2A
SCHEMBL12485500 0.89 CA12 (0.60) CA12CA2CA9MEN1KMT2A
SCHEMBL28023179 0.85 CA12 (0.55) CA12CA2CA9MEN1KMT2A
SCHEMBL12443483 0.85 MAPT (0.53) CA12CA2CA9MEN1KMT2A
SCHEMBL17395842 0.84 MAPT (0.65) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL17395843 0.84 MAPT (0.65) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL12443189 0.80 MAPT (0.63) CA12CA2CA9MEN1KMT2A
SCHEMBL3713620 0.78 RRM1 (0.57) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL12416649 0.77 SIRT2 (0.69) CA12CA2CA9MEN1KMT2A

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
US-5304644-A 1-,2-,3-,4-,5-,6-,7-,8- and/or 9 substituted dibenzoxazepine compounds, pharmaceutical compositions and methods for treating pain G. D. SEARLE & CO. (US) 1994-04-19 — — US disclosed
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