SCHEMBL9016955

SCHEMBL9016955

Brc1cccc(C(Br)(Br)c2ccccc2)c1Br

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNN4 O15554 2/20 0.32
TSHR P16473 2/20 0.32
PRNP P04156 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL29197463 0.83 ALDH1A1 (0.33) ALDH1A1CA1CA2CA5ACA9
SCHEMBL27646568 0.83 TSHR (0.32) ALDH1A1KCNN4TSHRTDP1
SCHEMBL8854169 0.81 KCNN4 (0.41) ALDH1A1CA1CA2CA5ACA9
SCHEMBL653490 0.79 CA1 (0.32) ALDH1A1CA1CA2CA5ACA9
SCHEMBL4949544 0.78 ALDH1A1 (0.32) ALDH1A1CA1CA2CA5ACA9
SCHEMBL7211645 0.78 TSHR (0.38) ALDH1A1CA1CA2CA5ACA9
SCHEMBL4812198 0.77 CA1 (0.31) CA1CA2CA5ACA9
SCHEMBL4813318 0.76 CA1 (0.30) CA1CA2CA5ACA9
SCHEMBL4944865 0.76 CA1 (0.30) CA1CA2CA5ACA9
SCHEMBL2520732 0.75

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
EP-0452123-B1 Radiopaque, optically transparent medical tubing BECTON DICKINSON CO (US) 1996-01-10 EP claimed
EP-0016230-B1 SUBSTRATE FOR FLEXIBLE PRINTED CIRCUITS AND METHOD OF FABRICATING THE SAME, AND FILM SUMITOMO BAKELITE COMPANY LIMITED (JP) 1984-10-03 EP disclosed
US-4353954-A COATING THE REACTION PRODUCT OF AN N-HETEROCYCLE POLYMER AND AN EPOXY RESIN ONTO A METAL FOIL SUMITOMO BAKELITE COMPANY, LIMITED (JP) 1982-10-12 US disclosed
US-3960981-A SELF-EXTINGUISHING SOCIETA' ITALIANA RESINE S.I.R. S.P.A. (IT) 1976-06-01 US disclosed