SCHEMBL11380890

SCHEMBL11380890

COC(=O)c1cc(Br)c(Br)c(C(=O)OC)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.43
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
NR4A2 P43354 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL8378635 0.85 SOS1 (0.43) SOS1CA1CA2CA9CA12
SCHEMBL1855578 0.81 SOS1 (0.41) SOS1CA1CA2CA9CA12
SCHEMBL23051540 0.79 SOS1 (0.50) SOS1CA1CA2CA9CA12
SCHEMBL197110 0.79 SOS1 (0.50) SOS1CA1CA2CA9CA12
SCHEMBL8551084 0.78 CA12 (0.41) SOS1CA1CA2CA9CA12
SCHEMBL28462088 0.77 CA1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL6442274 0.77 CA12 (0.48) SOS1CA1CA2CA9CA12
SCHEMBL8550905 0.77 HSD17B10 (0.45) SOS1CA2KDM4ETSHRLMNA
SCHEMBL8380519 0.76 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL29049264 0.76 CA12 (0.48) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0039312-A1 Colour photopgraphic material for the silver-dye bleaching process, process for the production of this material and its use in the production of photographic images CIBA-GEIGY AG (CH) 1981-11-04 EP disclosed