SCHEMBL31605593

SCHEMBL31605593

CCc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2noc3cccc(-c4cncnc4)c23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 2/20 0.37
▸ MAPT P10636 5/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALPL P05186 2/20 0.35
▸ KAT7 O95251 3/20 0.35
▸ KAT6B Q8WYB5 3/20 0.35
▸ KAT6A Q92794 3/20 0.35
▸ KAT5 Q92993 2/20 0.35
▸ KAT8 Q9H7Z6 2/20 0.35
▸ CYP1A2 P05177 4/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CYP2D6 P10635 4/20 0.34
▸ CYP2C19 P33261 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL21596833 1.00 OXTR (0.37) OXTRMAPTTP53ALPLKAT7
SCHEMBL31605635 0.89 KDM4E (0.36) OXTRMAPTTP53ALPLKAT7
SCHEMBL21596863 0.89 KDM4E (0.36) OXTRMAPTTP53ALPLKAT7
SCHEMBL29652392 0.89 KAT7 (0.38) OXTRMAPTTP53ALPLKAT7
SCHEMBL28906748 0.85 ALDH1A1 (0.34) OXTRMAPTTP53KAT7KAT6B
SCHEMBL29652358 0.85 ALDH1A1 (0.34) OXTRMAPTTP53KAT7KAT6B
SCHEMBL29652415 0.85 KAT7 (0.37) MAPTTP53KAT7KAT6BKAT6A
SCHEMBL29652370 0.81 KAT7 (0.41) MAPTTP53KAT7KAT6BKAT6A
SCHEMBL31605548 0.79 MAPT (0.37) MAPTTP53KAT7KAT6BKAT6A
SCHEMBL21596794 0.79 MAPT (0.37) MAPTTP53KAT7KAT6BKAT6A

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-B Compounds of formula (I) CTXT私人有限公司 2025-05-30 — — CN disclosed
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