SCHEMBL30528698

SCHEMBL30528698

CS(=O)(=O)Oc1ccc(OS(C)(=O)=O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.62
▸ KMT2A Q03164 7/20 0.62
▸ MEN1 O00255 6/20 0.62
▸ ALDH1A1 P00352 6/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ TDP1 Q9NUW8 4/20 0.62
▸ USP2 O75604 2/20 0.62
▸ DUSP3 P51452 1/20 0.62
▸ RAB9A P51151 6/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ ADORA2A P29274 5/20 0.51
▸ MAPK1 P28482 5/20 0.51
▸ POLB P06746 3/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ THRB P10828 2/20 0.51
▸ PPARG P37231 2/20 0.51
▸ FGB P02675 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ CDC25B P30305 3/20 0.48

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
SCHEMBL29050080 1.00 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1KDM4E
1,4-Dimethoxyanthraquinone SCHEMBL3417221 0.77 MAPT (1.00) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL594052 0.75 VDR (0.54) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3839152 0.75 NFE2L2 (0.42) KMT2AALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL24194431 0.74 TOP1 (0.64) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL550665 0.74 TDP1 (0.39) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9626375 0.74 ADORA2A (0.68) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6940400 0.74 KMT2A (0.44) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL1303983 0.73 MAPT (0.58) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL1027363 0.73 KDM4E (0.43) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574020-A Preparation and application of long-term stable silicone hydrogel contact lens colorant 华诺森(湖北)光学有限公司 2023-08-11 — — CN claimed
CN-116574020-A Preparation and application of long-term stable silicone hydrogel contact lens colorant 华诺森(湖北)光学有限公司 2023-08-11 — — CN disclosed
CN-116574020-A Preparation and application of long-term stable silicone hydrogel contact lens colorant 华诺森(湖北)光学有限公司 2023-08-11 — — CN disclosed
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