SCHEMBL5068048

SCHEMBL5068048

Nc1c(F)c(F)c(C(=O)O)c(F)c1F.Nc1c(I)cc(C(=O)O)cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 5/20 0.47
▸ HCAR1 Q9BXC0 1/20 0.35
▸ CA1 P00915 5/20 0.32
▸ CA2 P00918 5/20 0.32
▸ CA9 Q16790 4/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ CA3 P07451 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SELL P14151 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SELP P16109 1/20 0.31
▸ FUT4 P22083 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31

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
SCHEMBL864680 0.83 TPMT (0.65) TPMTHCAR1CA1CA2CA9
SCHEMBL506102 0.79 KMT2A (0.33) CA1CA2CA12CA7KDM4E
SCHEMBL16064373 0.78 TPMT (0.54) TPMTHCAR1CA1CA2CA9
SCHEMBL5068052 0.77 MAPT (0.33) CA1CA2CA9CA3MAPT
SCHEMBL19131132 0.75 KMT2A (0.35) CA1CA2CA12CA7KDM4E
SCHEMBL8464805 0.72 KMT2A (0.32) CA1CA2CA12CA7KDM4E
SCHEMBL3715241 0.71 TPMT (0.54) TPMTCA1CA2CA9CA12
SCHEMBL28143645 0.71 TPMT (0.54) TPMTHCAR1CA1CA2CA9
SCHEMBL31451864 0.70 CA1 (0.37) TPMTCA1CA2CA9CA3
SCHEMBL23815308 0.70 TPMT (0.58) TPMTHCAR1CA1CA2CA9

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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