SCHEMBL8827370

SCHEMBL8827370

C/C(=C\c1cc(Br)c(N)c(Br)c1)c1cc(Br)c(N)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.41
▸ PTGS1 P23219 12/20 0.40
▸ PTGS2 P35354 7/20 0.40
▸ NQO2 P16083 6/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ TUBB1 Q9H4B7 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL8827373 1.00 GSK3B (0.41) GSK3BPTGS1PTGS2NQO2GAA
SCHEMBL8827308 0.82 PTGS1 (0.46) PTGS1PTGS2NQO2ESR1ESR2
SCHEMBL8827302 0.82 PTGS1 (0.46) PTGS1PTGS2NQO2ESR1ESR2
SCHEMBL8827023 0.80 PTGS1 (0.40) PTGS1PTGS2NQO2MAPTESR1
SCHEMBL8827032 0.80 PTGS1 (0.40) PTGS1PTGS2NQO2MAPTESR1
SCHEMBL8827313 0.76 RARG (0.39) PTGS1PTGS2NQO2MAPT
SCHEMBL8827305 0.76 RARG (0.39) PTGS1PTGS2NQO2MAPT
SCHEMBL8422593 0.75 PTGS1 (0.49) PTGS1PTGS2NQO2ESR1ESR2
SCHEMBL8422595 0.75 PTGS1 (0.49) PTGS1PTGS2NQO2ESR1ESR2
SCHEMBL8396862 0.73 CYP3A4 (0.46) PTGS1PTGS2NQO2ESR1ESR2

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
US-5602211-A CURING AGENTS THE DOW CHEMICAL COMPANY (US) 1997-02-11 — — US disclosed
US-5414121-A Adducts of epoxy resins and active hydrogen containing compounds containing mesogenic moieties THE DOW CHEMICAL COMPANY (US) 1995-05-09 — — US disclosed
US-5342904-A Polymer modified adducts of epoxy resins and active hydrogen containing compounds containing mesogenic moieties THE DOW CHEMICAL COMPANY (US) 1994-08-30 — — US disclosed
US-5276184-A Curing agents for epoxy resins for thermosetting resins THE DOW CHEMICAL COMPANY (US) 1994-01-04 — — US disclosed
US-5235008-A Curable THE DOW CHEMICAL COMPANY (US) 1993-08-10 — — US disclosed
EP-0478918-A2 Adducts of epoxy resins and active hydrogen containing compounds containing mesogenic moieties THE DOW CHEMICAL COMPANY (US) 1992-04-08 — — EP disclosed
EP-0469492-A2 Polymer modified adducts of epoxy resins and active hydrogen containing compounds containing mesogenic moieties THE DOW CHEMICAL COMPANY (US) 1992-02-05 — — EP disclosed
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