SCHEMBL9717113

SCHEMBL9717113

COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PTPN1 P18031 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL31306912 0.91 CA12 (0.46) F2PRSS1PRSS2PRSS3CA12
SCHEMBL5698060 0.91 CA12 (0.46) F2PRSS1PRSS2PRSS3CA12
SCHEMBL8380519 0.83 CA1 (0.48) CA12CA1CA2CA7CA9
Ethylenediamine SCHEMBL11289433 0.80 CA12 (0.39) F2PRSS1PRSS2PRSS3CA12
SCHEMBL29514787 0.80 CYP1A2 (0.45) F2PRSS1PRSS2PRSS3CA12
SCHEMBL35828 0.80 CYP1A2 (0.45) F2PRSS1PRSS2PRSS3CA12
SCHEMBL7899783 0.79 ALDH1A1 (0.44) ALDH1A1LMNATSHRNPSR1MAPT
SCHEMBL25381186 0.78 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL29049264 0.78 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL25380099 0.78 CA12 (0.48) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103000723-A Solar cell MOTECH IND INC 2013-03-27 CN disclosed
CN-100575430-C Ink-jet ink composition and safe printing method VIDEOJET TECHNOLOGIES INC 2009-12-30 CN disclosed
CN-1788057-A Ink jet ink composition and method for security making VIDEOJET TECHNOLOGIES INC (US) 2006-06-14 CN disclosed
CN-1124729-A Tetrabromo-phthalate series compound and synthesizing process SHANDONG COLLEGE OF BUILDING M (CN) 1996-06-19 CN disclosed
US-5162405-A Single-functional and mixtures of multi-functional oligomeric performance additive compositions and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-11-10 US disclosed
US-5013777-A Benzosulfonic acids as end groups of engineering thermoplastic resins; fireproofing; oxidation and UV resistances; photostabilizers ATOCHEM NORTH AMERICA, INC. (US) 1991-05-07 US disclosed
EP-0332761-A2 Single-functional and mixtures of multifunctional oligomeric performance additive compositions, and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1989-09-20 EP disclosed