SCHEMBL28518663

SCHEMBL28518663

CCc1ccc(OC)c(S(=O)(=O)N(OCc2ccc(OC)cc2OC)c2noc3cccc(Br)c23)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ TP53 P04637 3/20 0.37
▸ KAT7 O95251 6/20 0.36
▸ KAT6A Q92794 6/20 0.36
▸ KAT6B Q8WYB5 5/20 0.36
▸ KAT5 Q92993 4/20 0.36
▸ KAT8 Q9H7Z6 4/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALPL P05186 1/20 0.33
▸ POLB P06746 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
SCHEMBL29652601 1.00 MAPT (0.37) MAPTTP53KAT7KAT6AKAT6B
SCHEMBL29652457 0.91 KAT7 (0.37) MAPTTP53KAT7KAT6AKAT6B
SCHEMBL21596809 0.88 MAPT (0.36) MAPTTP53KAT7KAT6AKAT6B
SCHEMBL29652454 0.88 MAPT (0.36) MAPTTP53KAT7KAT6AKAT6B
SCHEMBL29652392 0.80 KAT7 (0.38) MAPTTP53KAT7KAT6AKAT6B
SCHEMBL28906747 0.80 ALDH1A1 (0.32) MAPTTP53KAT7KAT6AKAT6B
SCHEMBL21596821 0.80 MAPT (0.38) MAPTKAT7KAT6AKAT6BKAT5
SCHEMBL29652522 0.80 ALDH1A1 (0.32) MAPTTP53KAT7KAT6AKAT6B
SCHEMBL31605552 0.80 MAPT (0.38) MAPTKAT7KAT6AKAT6BKAT5
SCHEMBL29652444 0.79 MAPT (0.35) MAPTTP53KAT7KAT6AKAT6B

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
CN-112334466-A Compound (I) CTXT私人有限公司 2021-02-05 — — CN disclosed
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