SCHEMBL4457412

SCHEMBL4457412

O=[N+]([O-])c1cccc(C(Br)(Br)Br)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.64
LMNA P02545 2/20 0.64
PTPRC P08575 1/20 0.56
ALDH1A1 P00352 6/20 0.53
ACHE P22303 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX15 P16050 1/20 0.53
HSP90AA1 P07900 1/20 0.52
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TP53 P04637 1/20 0.48
NFE2L2 Q16236 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
FBP1 P09467 1/20 0.46
VCP P55072 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
SCHEMBL14744311 0.84 PTPRC (0.61) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL28549165 0.84 PTPRC (0.61) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL29703748 0.82 TSHR (0.61) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL9734076 0.82 PTPRC (0.63) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL439710 0.82 TSHR (0.61) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL3081516 0.82 TSHR (0.61) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL31496742 0.82 PTPRC (0.63) TSHRLMNAPTPRCALDH1A1ACHE
SCHEMBL179286 0.82 PTPRC (0.63) TSHRLMNAPTPRCALDH1A1ACHE
Bromomethane SCHEMBL28113531 0.81 KIF11 (0.56) TSHRLMNAPTPRCALDH1A1ACHE
Hydrochloric Acid SCHEMBL155430 0.80 KIF11 (0.59) TSHRLMNAPTPRCALDH1A1ACHE

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 6 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
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