SCHEMBL24523038

SCHEMBL24523038

Cc1ccc(S(=O)Oc2cc(=O)oc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ TNKS O95271 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46
▸ PARP2 Q9UGN5 1/20 0.46
▸ KCNA3 P22001 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NQO1 P15559 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL15215909 0.80 CA12 (0.52) ALDH1A1MEN1TP53TSHRKMT2A
SCHEMBL3918843 0.73 MEN1 (0.49) ALDH1A1MEN1TP53TSHRKMT2A
SCHEMBL1627582 0.73 CYP2A6 (0.64) ALDH1A1MEN1TP53TSHRKMT2A
SCHEMBL17011668 0.70 KMT2A (0.40) ALDH1A1MEN1TSHRKMT2AMAOB
SCHEMBL15842820 0.70 CA12 (0.55) ALDH1A1MEN1TP53TSHRKMT2A
SCHEMBL31236780 0.70 CA12 (0.55) ALDH1A1MEN1TP53TSHRKMT2A
SCHEMBL30659694 0.70 CA12 (0.51) ALDH1A1MEN1TP53TSHRKMT2A
SCHEMBL17787234 0.70 NQO1 (0.61) ALDH1A1MEN1TP53TSHRKMT2A
SCHEMBL15843118 0.69 PTGS2 (0.59) ALDH1A1MEN1TP53TSHRKMT2A
SCHEMBL15842782 0.69 CYP2A6 (0.67) ALDH1A1TP53CA12CA1CA9

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
EP-4015512-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2022-06-22 — — EP disclosed
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