SCHEMBL7615549

SCHEMBL7615549

O=C1CNC(=O)[N+]1(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
HPGD P15428 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
TYRO3 Q06418 1/20 0.30
NTRK2 Q16620 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL8335371 0.80 KDM4E (0.31) CA12CA9HPGDGSK3AGSK3B
SCHEMBL7625905 0.72 MEN1 (0.33) GSK3AGSK3B
SCHEMBL11001347 0.61 CYP1A2 (0.31)
SCHEMBL9717994 0.61 MEN1 (0.41) CA9GSK3B
SCHEMBL3322196 0.60 GSK3A (0.34) GSK3AGSK3B
SCHEMBL9070050 0.58 KDM4E (0.30) GSK3B
SCHEMBL845937 0.58 DDB1 (0.32) GSK3B
SCHEMBL8881696 0.57 ALDH1A1 (0.38) CA12CA9GSK3B
Aniline SCHEMBL6921161 0.56 TSHR (0.58) CA12CA9HPGDGSK3AGSK3B
Phenol SCHEMBL27863786 0.56 CA12 (0.58) CA12CA9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436624-B2 USING N-OXYAZINIUM COMPOUND EASTMAN KODAK COMPANY 2002-08-20 US disclosed
US-20010041314-A1 Method for reducing the dye stain in photographic elements FARID SAMIR Y (US) 2001-11-15 US disclosed