SCHEMBL6992332

SCHEMBL6992332

CCCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.82
▸ BACE1 P56817 1/20 0.72
▸ POLB P06746 2/20 0.65
▸ GFER P55789 1/20 0.65
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ KDM4E B2RXH2 5/20 0.61
▸ MAPK1 P28482 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ EGFR P00533 1/20 0.56
▸ GAA P10253 4/20 0.56
▸ TTR P02766 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ CTNNB1 P35222 1/20 0.56
▸ HPGD P15428 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ PIK3CD O00329 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL12402570 0.85 BACE1 (0.82) MAPTBACE1POLBGFERMEN1
SCHEMBL1788517 0.84 BACE1 (1.00) MAPTBACE1POLBGFERMEN1
SCHEMBL1792241 0.84 MAPT (0.76) MAPTPOLBGFERMEN1KMT2A
SCHEMBL2184492 0.84 MAPT (0.75) MAPTPOLBGFERMEN1KMT2A
SCHEMBL1789659 0.83 TTR (0.76) MAPTPOLBGFERMEN1KMT2A
SCHEMBL3139309 0.82 MAPT (0.85) MAPTBACE1POLBGFERMEN1
SCHEMBL1790743 0.81 MAPT (0.82) MAPTBACE1POLBGFERMEN1
SCHEMBL190100 0.81 MEN1 (0.80) MAPTPOLBGFERMEN1KMT2A
SCHEMBL1793147 0.81 MAPT (0.76) MAPTPOLBGFERMEN1KMT2A
SCHEMBL15256408 0.81 MAPT (0.73) MAPTPOLBGFERMEN1KMT2A

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-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 — — WO disclosed
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