SCHEMBL22199971

SCHEMBL22199971

CC(=O)c1ccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4ccc(C(C)=O)cc4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 13/20 0.59
▸ CA1 P00915 7/20 0.59
▸ CA12 O43570 6/20 0.59
▸ CA2 P00918 5/20 0.49
▸ CA4 P22748 2/20 0.49
▸ MET P08581 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SCN2A Q99250 1/20 0.42

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
SCHEMBL25161435 0.88 CA9 (0.71) CA9CA1CA12CA2CA4
SCHEMBL728758 0.86 POLB (0.54) CA9CA1CA12ALDH1A1POLB
SCHEMBL25969208 0.83 ESR1 (0.64) CA9CA1CA12CA2ALDH1A1
SCHEMBL9157818 0.82 CA9 (0.49) CA9CA1CA12CA2CA4
SCHEMBL14016924 0.81 CA9 (0.64) CA9CA1CA12CA2CA4
SCHEMBL13819250 0.81 CA9 (0.47) CA9CA1CA12CA2ALDH1A1
SCHEMBL12352479 0.81 ESR1 (0.56) CA9CA1CA12CA2ALDH1A1
SCHEMBL13460950 0.80 ESR1 (0.55) CA9CA1CA12CA2ALDH1A1
SCHEMBL29906097 0.80 ESR1 (0.55) CA9CA1CA12CA2ALDH1A1
SCHEMBL12260131 0.80 ALDH1A1 (0.51) CA9CA1CA12CA2ALDH1A1

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
WO-2020141713-A1 METHOD FOR PREPARING POLYAMIC ACID COMPOSITION CONTAINING NOVEL DICARBONYL COMPOUND, POLYAMIC ACID COMPOSITION, METHOD FOR MANUFACTURING POLYAMIDE-IMIDE FILM USING SAME, AND POLYAMIDE-IMIDE FILM PRODUCED BY SAME MANUFACTURING METHOD 주식회사 대림코퍼레이션 2020-07-09 — — WO disclosed
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