SCHEMBL4457410

SCHEMBL4457410

O=[N+]([O-])c1cc(CBr)c(CBr)c(CBr)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
POLB P06746 1/20 0.48
CYP19A1 P11511 1/20 0.44
TSHR P16473 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GALR3 O60755 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
VCAM1 P19320 1/20 0.38
GSK3B P49841 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL29710225 0.88 ALDH1A1 (0.46) HTTPOLBCYP19A1TSHRALDH1A1
SCHEMBL19357876 0.88 ALDH1A1 (0.46) HTTPOLBCYP19A1TSHRALDH1A1
SCHEMBL6443702 0.81 MEN1 (0.50) HTTPOLBCYP19A1TSHRALDH1A1
SCHEMBL6643645 0.78 ALDH1A1 (0.52) HTTPOLBCYP19A1TSHRALDH1A1
SCHEMBL23388197 0.77 CYP19A1 (0.43) HTTPOLBCYP19A1TSHRALDH1A1
SCHEMBL29368452 0.77 CYP1A2 (0.47) HTTPOLBTSHRALDH1A1MEN1
SCHEMBL260864 0.77 CYP1A2 (0.47) HTTPOLBTSHRALDH1A1MEN1
SCHEMBL8487056 0.77 ALDH1A1 (0.59) HTTPOLBCYP19A1TSHRALDH1A1
SCHEMBL8818621 0.76 ALDH1A1 (0.64) HTTPOLBCYP19A1TSHRALDH1A1
SCHEMBL29706685 0.75 PTPRC (0.52) TSHRALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996653-B1 SURFACE MODIFIED PIGMENTS FOR INK-JET PRINTING INKS AND METHOD OF MAKING MODIFIED PIGMENTS HEWLETT PACKARD DEVELOPMENT CO (US) 2012-10-03 EP disclosed
EP-1996653-B1 SURFACE MODIFIED PIGMENTS FOR INK-JET PRINTING INKS AND METHOD OF MAKING MODIFIED PIGMENTS HEWLETT PACKARD DEVELOPMENT CO (US) 2012-10-03 EP disclosed
US-7579080-B2 Modified pigment-based inks and method of making modified pigment-based inks HEWLETT-PACKARD DEVELOPMENT COMPAN, L.P. (US) 2009-08-25 US disclosed
US-7579080-B2 Modified pigment-based inks and method of making modified pigment-based inks HEWLETT-PACKARD DEVELOPMENT COMPAN, L.P. (US) 2009-08-25 US disclosed
EP-1996653-A2 SURFACE MODIFIED PIGMENTS FOR INK-JET PRINTING INKS AND METHOD OF MAKING MODIFIED PIGMENTS Hewlett-Packard Development Company, L.P. (US) 2008-12-03 EP disclosed
WO-2007092726-A9 SURFACE MODIFIED PIGMENTS FOR INK-JET PRINTING INKS AND METHOD OF MAKING MODIFIED PIGMENTS HEWLETT PACKARD DEVELOPMENT CO (US) 2007-10-11 WO disclosed
WO-2007092726-A2 SURFACE MODIFIED PIGMENTS FOR INK-JET PRINTING INKS AND METHOD OF MAKING MODIFIED PIGMENTS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-08-16 WO disclosed
US-20070181037-A1 Modified pigment-based inks and method of making modified pigment-based inks HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-08-09 US disclosed
US-20070181037-A1 Modified pigment-based inks and method of making modified pigment-based inks HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-08-09 US disclosed