SCHEMBL5068052

SCHEMBL5068052

Nc1c(I)cc(C(=O)OC(=O)c2c(F)c(F)c(N)c(F)c2F)cc1I

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ CA3 P07451 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
SCHEMBL5068048 0.77 TPMT (0.47) MAPTCA1CA2CA9CA3
SCHEMBL10355104 0.70 CA1 (0.52) MAPTCA1CA2CA9
SCHEMBL776289 0.67 CES2 (0.40) MAPTCA1CA2ESR1
SCHEMBL3652117 0.67 KDM4E (0.47) MAPTCA1CA2CA9CA3
SCHEMBL651934 0.66 CA12 (0.56) MAPTCA1CA2CA9ESR1
SCHEMBL505374 0.65 TSHR (0.52) MAPTCA1CA2CA9ESR1
SCHEMBL25409613 0.65 CES2 (0.46) MAPTCA1CA2
SCHEMBL776290 0.65 LMNA (0.50) MAPT
SCHEMBL864680 0.64 TPMT (0.65) MAPTCA1CA2CA9CA3
SCHEMBL11878620 0.63 CA1 (0.41) CA1CA2CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493394-B2 Photoaligning materials ROLIC AG (CH) 2016-11-15 — — US disclosed
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 — — EP disclosed
EP-1928979-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2008-06-11 — — EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 — — WO disclosed
WO-2007033506-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2007-03-29 — — WO disclosed
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