SCHEMBL6002035

SCHEMBL6002035

Cc1ccc(-n2c(=O)[nH]c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MPI P34949 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
HPGD P15428 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HKDC1 Q2TB90 2/20 0.55
SIRT2 Q8IXJ6 1/20 0.53
LMNA P02545 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 2/20 0.46
NFKB1 P19838 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
NPBWR1 P48145 1/20 0.46

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
SCHEMBL6002533 0.86 CTSV (0.53) KMT2AMEN1ALDH1A1MPIAPOBEC3G
SCHEMBL5718492 0.77 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HPGDL3MBTL1
SCHEMBL29634290 0.77 PGR (0.60) KMT2AMEN1ALDH1A1MPIAPOBEC3G
SCHEMBL2718464 0.77 PGR (0.60) KMT2AMEN1ALDH1A1MPIAPOBEC3G
SCHEMBL25403172 0.73 PGR (0.63) KMT2AMEN1ALDH1A1MPIAPOBEC3G
SCHEMBL30349795 0.73 CYP1A2 (0.60) KMT2AMEN1ALDH1A1MPIAPOBEC3G
SCHEMBL11352988 0.73 DAO (0.60) KMT2AMEN1ALDH1A1HPGDL3MBTL1
SCHEMBL4098385 0.73 AURKA (0.56) KMT2AMEN1ALDH1A1HPGDL3MBTL1
SCHEMBL31439102 0.71 GRIA1 (0.57) KMT2AMEN1ALDH1A1MPIAPOBEC3G
SCHEMBL31439101 0.71 GRIA1 (0.57) KMT2AMEN1ALDH1A1MPIAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120420-B1 Triphendioxazine compounds CLARIANT FINANCE BVI LTD (VG) 2006-01-11 EP disclosed
US-6617453-B1 Preparing these triphendioxazine compounds by a cyclization step conducted in the presence of manganese dioxide and concentrated sulphuric acid. CLARIANT FINANCE (BVI) LIMITED (VG) 2003-09-09 US disclosed
EP-0911337-B1 Process for the preparation of triphendioxazine compounds CLARIANT FINANCE BVI LTD (VG) 2003-02-26 EP disclosed
US-6355795-B1 PIGMENTS POSSESSING HIGH FASTNESS TO SOLVENTS, MIGRATION AND LIGHT, WHICH HAVE GOOD THERMAL STABILITIES AND HIGH TINTING POWER AND ARE ALSO EASILY DISPERSIBLE CLARIANT FINANCE (BVI) LIMITED (BV) 2002-03-12 US disclosed
EP-1120420-A2 New triphendioxazine compounds Clariant Finance (BVI) Limited (VG) 2001-08-01 EP disclosed
EP-1120421-A2 New triphendioxazine compounds Clariant Finance (BVI) Limited (VG) 2001-08-01 EP disclosed
US-6255482-B1 PREPARING CHLORINE-CONTAINING TRIPHENDIOXAZINE COMPOUNDS USEFUL AS PIGMENTS POSSESSING HIGH FASTNESS TO SOLVENTS, MIGRATION, AND LIGHT, WHICH HAVE GOOD THERMAL STABILITIES AND HIGH TINTING POWER CLARIANT FINANCE (BVI) LIMITED (VG) 2001-07-03 US disclosed
EP-0911337-A1 New triphendioxazine compounds Clariant Finance (BVI) Limited (VG) 1999-04-28 EP disclosed