SCHEMBL28514884

SCHEMBL28514884

CCc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2noc3cc(C)ccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.38
▸ KAT7 O95251 3/20 0.38
▸ KAT6A Q92794 3/20 0.38
▸ KAT6B Q8WYB5 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL29652474 1.00 BRD4 (0.38) BRD4KAT7KAT6AKAT6BMAPT
SCHEMBL29652370 0.95 KAT7 (0.41) BRD4KAT7KAT6AKAT6BMAPT
SCHEMBL31605548 0.93 MAPT (0.37) BRD4KAT7KAT6AKAT6BMAPT
SCHEMBL21596794 0.93 MAPT (0.37) BRD4KAT7KAT6AKAT6BMAPT
SCHEMBL29652373 0.91 TSHR (0.39) BRD4KAT7KAT6AKAT6BMAPT
SCHEMBL21596810 0.86 TSHR (0.39) BRD4KAT7KAT6AKAT6BMAPT
SCHEMBL21596842 0.86 KAT7 (0.36) BRD4KAT7KAT6AKAT6BMAPT
SCHEMBL21596783 0.86 KAT7 (0.36) BRD4KAT7KAT6AKAT6BMAPT
SCHEMBL31605563 0.86 KAT7 (0.36) BRD4KAT7KAT6AKAT6BMAPT
SCHEMBL30838424 0.86 TSHR (0.39) BRD4KAT7KAT6AKAT6BMAPT

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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