SCHEMBL12841392

SCHEMBL12841392

O=[N+]([O-])c1ccc(-c2ccc(N(O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ TLR9 Q9NR96 1/20 0.52
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA12 O43570 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ APP P05067 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 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
SCHEMBL17018433 0.94 ALDH1A1 (0.57) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL6423919 0.82 CA1 (0.67) ALDH1A1CA1CA2CA12CA9
SCHEMBL28198 0.82 CA1 (0.67) ALDH1A1CA1CA2CA12CA9
SCHEMBL12590141 0.80 ALDH1A1 (0.57) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
Water SCHEMBL28670631 0.79 CA1 (0.64) ALDH1A1CA1CA2CA12CA9
SCHEMBL7465529 0.79 CA12 (0.55) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL5528929 0.79 MAPT (0.70) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL12320132 0.78 CES1 (0.52) ALDH1A1L3MBTL1MEN1KMT2AATM
Bicarbonate SCHEMBL1562172 0.78 MAPK1 (0.68) ALDH1A1MEN1KMT2ACA1CA2
Bicarbonate SCHEMBL27200925 0.78 MAPK1 (0.68) ALDH1A1MEN1KMT2ACA1CA2

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-7897821-B2 Sulfonium compound JSR CORPORATION (JP) 2011-03-01 — — US disclosed
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