SCHEMBL6002533

SCHEMBL6002533

COc1ccc(-n2c(=O)[nH]c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MPI P34949 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
HTT P42858 3/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
STAT1 P42224 1/20 0.49
NPBWR1 P48145 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 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
SCHEMBL6002035 0.86 KMT2A (0.55) MEN1KMT2AALDH1A1MPIAPOBEC3G
SCHEMBL5351065 0.79 ATM (0.52) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6002037 0.76 ALDH1A1 (0.68) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL11346077 0.76 ATM (0.57) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4934267 0.75 ATM (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2718464 0.74 PGR (0.60) MEN1KMT2AALDH1A1MPIAPOBEC3G
SCHEMBL29634290 0.74 PGR (0.60) MEN1KMT2AALDH1A1MPIAPOBEC3G
SCHEMBL7655100 0.73 KDM4E (0.65) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL4931135 0.71 GABRP (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL15550780 0.71 TNKS (0.51) KMT2AALDH1A1MAPTLMNAGAA

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-1120421-A2 New triphendioxazine compounds Clariant Finance (BVI) Limited (VG) 2001-08-01 EP disclosed
EP-1120420-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