SCHEMBL30228274

SCHEMBL30228274

CC(=O)Nc1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.70
▸ CA9 Q16790 5/20 0.70
▸ CA1 P00915 3/20 0.70
▸ MAP2K1 Q02750 1/20 0.57
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KCNA3 P22001 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL30228334 0.87 RAB9A (0.60) CA12CA9CA1RAB9ANPC1
SCHEMBL30228011 0.85 CA12 (0.50) CA12CA9CA1RAB9ANPC1
SCHEMBL30228151 0.85 HPGD (0.73) CA12CA9CA1RAB9ANPC1
SCHEMBL30228204 0.84 CA12 (0.58) CA12CA9CA1MAP2K1RAB9A
SCHEMBL30228438 0.83 KCNA3 (0.59) CA12CA9CA1RAB9ANPC1
SCHEMBL8516165 0.83 CA12 (1.00) CA12CA9CA1MAP2K1RAB9A
SCHEMBL30449676 0.83 CA12 (1.00) CA12CA9CA1MAP2K1RAB9A
SCHEMBL30228426 0.82 ALDH1A1 (0.52) CA12CA9CA1RAB9ANPC1
SCHEMBL30228425 0.82 ALDH1A1 (0.52) CA12CA9CA1RAB9ANPC1
SCHEMBL30228340 0.81 ALDH1A1 (0.54) CA12CA9CA1RAB9ANPC1

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-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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