SCHEMBL7817217

SCHEMBL7817217

CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
KMT2A Q03164 2/20 0.53
MAPT P10636 5/20 0.51
MAPK1 P28482 2/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GSK3B P49841 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GSK3A P49840 1/20 0.50
ACHE P22303 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 2/20 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
SCHEMBL8186251 0.84 CCNA2 (0.61) CA1CA2CA12CA9KMT2A
SCHEMBL6928301 0.83 ABCC9 (0.50) CA1CA2CA12CA9KMT2A
SCHEMBL7834997 0.82 CACNA1D (0.51) CA1CA2CA12CA9KMT2A
SCHEMBL8191764 0.82 CA12 (0.56) CA1CA2CA12CA9KMT2A
SCHEMBL2746217 0.82 L3MBTL1 (0.69) KMT2AMAPTMAPK1LMNAL3MBTL1
SCHEMBL7814828 0.82 GSK3B (0.69) KMT2AMAPTMAPK1LMNAL3MBTL1
SCHEMBL7814727 0.81 ABCC9 (0.60) KMT2AMAPTLMNAL3MBTL1MEN1
SCHEMBL7820470 0.81 ALDH1A1 (0.69) KMT2AMAPTMAPK1LMNAL3MBTL1
SCHEMBL8187871 0.81 ABCC9 (0.55) KMT2AMAPTMAPK1LMNAL3MBTL1
SCHEMBL7817504 0.80 MAPT (0.47) KMT2AMAPTMAPK1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265127-B1 1, 4-dihydrophyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-07-24 US disclosed
EP-1109070-A2 1,4-Dihydropyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2001-06-20 EP disclosed
US-6162918-A Xanthene and acridine derivatives HOFFMANN-LA ROCHE INC. (US) 2000-12-19 US disclosed
US-5969139-A INHIBITORS OF HERPES SIMPLEX VIRUS THYMIDINE KINASE HOFFMANN-LA ROCHE INC. (US) 1999-10-19 US disclosed
EP-0823426-A1 Xanthene and acridine derivatives and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-02-11 EP disclosed