SCHEMBL28516294

SCHEMBL28516294

CCc1ccc(CON(c2noc3c(Br)cccc23)S(=O)(=O)c2cc(CC)ccc2OC)c(CC)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.35
▸ TP53 P04637 4/20 0.35
▸ ALPL P05186 1/20 0.35
▸ KAT7 O95251 3/20 0.34
▸ KAT6B Q8WYB5 3/20 0.34
▸ KAT6A Q92794 3/20 0.34
▸ KAT5 Q92993 2/20 0.34
▸ KAT8 Q9H7Z6 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ EDNRB P24530 3/20 0.33
▸ EDNRA P25101 3/20 0.33
▸ BRD4 O60885 1/20 0.31
▸ BRD2 P25440 1/20 0.31
▸ BRD3 Q15059 1/20 0.31

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
SCHEMBL29652444 1.00 MAPT (0.35) MAPTTP53ALPLKAT7KAT6B
SCHEMBL21596809 0.92 MAPT (0.36) MAPTTP53ALPLKAT7KAT6B
SCHEMBL29652454 0.92 MAPT (0.36) MAPTTP53ALPLKAT7KAT6B
SCHEMBL29652522 0.80 ALDH1A1 (0.32) MAPTTP53ALPLKAT7KAT6B
SCHEMBL21596821 0.80 MAPT (0.38) MAPTALPLKAT7KAT6BKAT6A
SCHEMBL31605552 0.80 MAPT (0.38) MAPTALPLKAT7KAT6BKAT6A
SCHEMBL28906747 0.80 ALDH1A1 (0.32) MAPTTP53ALPLKAT7KAT6B
SCHEMBL29652573 0.80 MAPT (0.36) MAPTTP53ALPLKAT7KAT6B
SCHEMBL29652540 0.80 KAT7 (0.33) MAPTTP53ALPLKAT7KAT6B
SCHEMBL28507830 0.80 KAT7 (0.33) MAPTTP53ALPLKAT7KAT6B

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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