SCHEMBL9788461

SCHEMBL9788461

CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1=CC1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT8 Q9H7Z6 3/20 0.55
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ PTGS2 P35354 3/20 0.48
▸ MAPT P10636 7/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ GFER P55789 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ DNMT1 P26358 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL9296161 1.00 KAT8 (0.55) KAT8ALDH1A1HPGDHSD17B10PTGS2
SCHEMBL17342938 0.86 MAPT (0.53) KAT8ALDH1A1HPGDPTGS2MAPT
SCHEMBL23064868 0.85 KAT8 (0.50) KAT8ALDH1A1HPGDHSD17B10PTGS2
SCHEMBL9295201 0.85 KAT8 (0.50) KAT8ALDH1A1HPGDHSD17B10PTGS2
SCHEMBL247053 0.83 MAPT (0.61) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL10078302 0.83 MAPT (0.61) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL305089 0.83 MAPT (0.61) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL14488588 0.79 MAPT (0.52) KAT8ALDH1A1HPGDMAPTKMT2A
SCHEMBL19651990 0.79 KAT8 (0.55) KAT8ALDH1A1HPGDHSD17B10PTGS2
SCHEMBL9524415 0.77 KDM4E (0.67) KAT8ALDH1A1HPGDHSD17B10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5075192-A For relief printing plates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-24 — — US disclosed
US-4956252-A ACID MODIFIED COPOLYMER CORE SHELL, AN ADDITION PHOTOPOLYMERIZABLE MONOMER, PHOTOINITIATOR FOR FLEXOGRAPHY E. I. DUPONT DE NEMOURS AND COMPANY (US) 1990-09-11 — — US disclosed
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