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SCHEMBL9259975

SCHEMBL9259975

CC(C)(C)c1ccc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2c1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 3/20 0.43
▸ CA12 O43570 2/20 0.43
▸ KIF11 P52732 5/20 0.42
▸ FEN1 P39748 3/20 0.35
▸ ERCC1 P07992 1/20 0.35
▸ ERCC4 Q92889 1/20 0.35
▸ CMA1 P23946 1/20 0.35
▸ DDR1 Q08345 1/20 0.34
▸ MAPT P10636 1/20 0.33

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
SCHEMBL9257797 0.88 CA12 (0.58) CA9CA12KIF11DDR1MAPT
SCHEMBL9259395 0.82 CA12 (0.41) CA9CA12FEN1ERCC1ERCC4
SCHEMBL9252371 0.81 FEN1 (0.44) FEN1CMA1
SCHEMBL9257826 0.81 FEN1 (0.55) CA9CA12FEN1
SCHEMBL9258552 0.79 KDM4E (0.47) CA9CA12MAPT
SCHEMBL9262316 0.79 KIF11 (0.42) CA9KIF11FEN1ERCC1ERCC4
SCHEMBL9261018 0.78 ALK (0.39) DDR1
SCHEMBL9255519 0.78 CCNB2 (0.36) CA9CA12FEN1ERCC1ERCC4
SCHEMBL9264418 0.78 FEN1 (0.58) FEN1ERCC1ERCC4
SCHEMBL9257755 0.77 ADORA3 (0.54) CA9CA12FEN1ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995019346-A1 QUINAZOLINE-2,4-DIONES SANDOZ LTD. (CH) 1995-07-20 — — WO claimed
WO-1995019346-A1 QUINAZOLINE-2,4-DIONES SANDOZ LTD. (CH) 1995-07-20 — — WO disclosed