SCHEMBL1901985

SCHEMBL1901985

O=[N+]([O-])c1c(Br)cc(O)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.39
GPR35 Q9HC97 3/20 0.38
S100A4 P26447 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP3A4 P08684 1/20 0.36
ERN1 O75460 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 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
SCHEMBL6759012 0.80 ALDH1A1 (0.41) ALDH1A1TSHRS100A4CYP3A4ERN1
SCHEMBL29975369 0.76 P2RY6 (0.42) ALDH1A1TSHRCYP3A4GRIN2DGRIN3B
SCHEMBL30644802 0.76 ALDH1A1 (0.60) ALDH1A1TSHRCYP3A4ERN1GRIN2D
SCHEMBL29973549 0.76 GAA (0.46) ALDH1A1TSHRALOX15CYP3A4GRIN2D
SCHEMBL11642626 0.76 CA1 (0.43) ALDH1A1TSHRGPR35S100A4CYP3A4
SCHEMBL11823723 0.76 TSHR (0.41) ALDH1A1TSHRALOX15GPR35S100A4
SCHEMBL231446 0.75 GPR35 (0.45) ALDH1A1TSHRALOX15GPR35S100A4
SCHEMBL18510270 0.75 ALDH1A1 (0.41) ALDH1A1TSHRGPR35CYP3A4GRIN2D
Ammonia Solution, Strong SCHEMBL20190529 0.74 GPR35 (0.46) ALDH1A1TSHRGPR35S100A4CYP3A4
SCHEMBL4374343 0.74 NSD2 (0.47) ALDH1A1TSHRLMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112264-A1 PROCESS FOR PRODUCING POLYMERIZATION CATALYST OF ALKYLENE OXIDE AND POLY(ALKYLENE OXIDE) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-12 US disclosed
US-20100280197-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER TAKAOKI KAZUO 2010-11-04 US disclosed
US-20030069127-A1 Modified particle,support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2003-04-10 US disclosed
EP-1275662-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-01-15 EP disclosed