SCHEMBL5700690

SCHEMBL5700690

O=C1N=c2ccccc2=N1.c1ccc2c(c1)N=c1cc3c(cc1O2)=Nc1ccccc1O3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
TRPA1 O75762 4/20 0.35
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.31
ADRB2 P07550 2/20 0.31
CHRM2 P08172 2/20 0.31

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
SCHEMBL54645 0.87 CYP1A2 (0.50) CYP1A2CYP2D6TRPA1HDAC3HDAC1
SCHEMBL30589180 0.87 CYP1A2 (0.50) CYP1A2CYP2D6TRPA1HDAC3HDAC1
SCHEMBL10597663 0.81 CYP1A2 (0.46) CYP1A2CYP2D6TRPA1HDAC3HDAC1
SCHEMBL1947835 0.74 AHR (0.41) CYP1A2CYP2D6TRPA1HRH4MAPT
SCHEMBL28072669 0.73 MEN1 (0.35) CYP1A2MAPTMEN1KMT2AHTT
SCHEMBL37950 0.73 MEN1 (0.35) CYP1A2MAPTMEN1KMT2AHTT
SCHEMBL8930845 0.72 MAPK1 (0.36) CYP1A2CYP2D6TRPA1HRH4MEN1
Hydrochloric Acid SCHEMBL8930878 0.71 MAPK1 (0.35) CYP1A2CYP2D6TRPA1HRH4MEN1
SCHEMBL10898650 0.71 CYP1A2 (0.45) CYP1A2CYP2D6TRPA1HRH4MAPT
SCHEMBL815892 0.71 CYP1A2 (0.38) CYP1A2CYP2D6TRPA1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1046681-B1 Hybrid pigments CLARIANT FINANCE BVI LTD (VG) 2006-11-02 EP claimed
EP-1046680-B1 Pigments, the process of their manufacture and their use CLARIANT FINANCE BVI LTD (VG) 2006-07-26 EP claimed
US-6482817-B1 Hybrid pigments CLARIANT FINANCE (BVI) LIMITED (VG) 2002-11-19 US claimed
US-6375732-B1 DIKETOPYRROLO(3,4-C)PYRROLE PIGMENTS AND PIGMENTS BEARING ?ACID? HYDROGENS LIKE-NH,-OH OR -CONH-GROUPS; FINE PARTICLE SIZE; DISPERSABILITY, COLOR STRENGTH, WEATHERABILITY, SATURATION, OUTSTANDING HEAT STABILITY IN ENGINEERING PLASTICS CLARIANT FINANCE (BVI) LIMITED (VG) 2002-04-23 US claimed
EP-1046680-A2 Pigments, the process of their manufacture and their use Clariant Finance (BVI) Limited (VG) 2000-10-25 EP claimed
EP-1046681-A2 Hybrid pigments Clariant Finance (BVI) Limited (VG) 2000-10-25 EP claimed
EP-1046681-B1 Hybrid pigments CLARIANT FINANCE BVI LTD (VG) 2006-11-02 EP disclosed
EP-1046680-B1 Pigments, the process of their manufacture and their use CLARIANT FINANCE BVI LTD (VG) 2006-07-26 EP disclosed
EP-1046681-A3 Hybrid pigments Clariant Finance (BVI) Limited (VG) 2003-02-12 EP disclosed
US-6482817-B1 Hybrid pigments CLARIANT FINANCE (BVI) LIMITED (VG) 2002-11-19 US disclosed
US-6482817-B1 Hybrid pigments CLARIANT FINANCE (BVI) LIMITED (VG) 2002-11-19 US disclosed
WO-2002042380-A1 USE OF PIGMENTS IN COSMETIC, IN PARTICULAR IN MAKE-UP CLARIANT FINANCE (BVI) LIMITED (VG) 2002-05-30 WO disclosed
US-6375732-B1 DIKETOPYRROLO(3,4-C)PYRROLE PIGMENTS AND PIGMENTS BEARING ?ACID? HYDROGENS LIKE-NH,-OH OR -CONH-GROUPS; FINE PARTICLE SIZE; DISPERSABILITY, COLOR STRENGTH, WEATHERABILITY, SATURATION, OUTSTANDING HEAT STABILITY IN ENGINEERING PLASTICS CLARIANT FINANCE (BVI) LIMITED (VG) 2002-04-23 US disclosed
JP-2001019870-A HYBRID PIGMENT CLARIANT INTERNATL LTD 2001-01-23 JP disclosed
EP-1046680-A2 Pigments, the process of their manufacture and their use Clariant Finance (BVI) Limited (VG) 2000-10-25 EP disclosed
EP-1046681-A2 Hybrid pigments Clariant Finance (BVI) Limited (VG) 2000-10-25 EP disclosed
EP-1046681-A2 Hybrid pigments Clariant Finance (BVI) Limited (VG) 2000-10-25 EP disclosed