SCHEMBL31605618

SCHEMBL31605618

COc1c(-c2noc3cc(Cl)ccc23)cccc1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KAT6A Q92794 2/20 0.42
▸ BRD4 O60885 4/20 0.39
▸ ESR1 P03372 5/20 0.38
▸ ESR2 Q92731 5/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ PTGES2 Q9H7Z7 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ KAT7 O95251 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL31605572 0.86 BRD4 (0.39) BRD4ESR1ESR2PTGES2CA1
SCHEMBL31605565 0.81 KDR (0.38) KAT6ABRD4PTGES2CA1CA2
SCHEMBL31535723 0.81 BRD4 (0.40) BRD4ESR1ESR2CA1CA2
SCHEMBL31605547 0.76 KDR (0.35) PTGES2CA1CA2CA12CA9
SCHEMBL31605594 0.75 FAAH (0.38) KAT6ABRD4ALDH1A1HSD11B1PTGES2
SCHEMBL31120840 0.75 CA4 (0.39) KAT6ABRD4PTGES2CA1CA2
SCHEMBL30522043 0.72 CA2 (0.38) KAT6ABRD4CA1CA2CA12
SCHEMBL28724741 0.69 CA1 (0.49) ESR1ESR2PTGES2CA1CA2
SCHEMBL31605585 0.68 KAT6A (0.44) KAT6ABRD4CA1CA2CA12
SCHEMBL31605604 0.68 PTGS2 (0.39) KAT6AESR1ESR2CA1CA2

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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