SCHEMBL6535402

SCHEMBL6535402

Cc1ccc(S(=O)(=O)OC(S)C2Sc3ccccc3N2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 1/20 0.36
▸ P2RX4 Q99571 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ BCHE P06276 2/20 0.32

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
SCHEMBL6799188 0.76 CYP2D6 (0.41) VDRP2RX4LMNAHDAC3HDAC4
SCHEMBL6535400 0.71 VDR (0.36) VDRP2RX4LMNAHDAC3HDAC4
SCHEMBL28522889 0.68 VDR (0.33) VDRP2RX4LMNAHDAC3HDAC4
SCHEMBL2909081 0.68 CYP24A1 (0.42) VDRLMNAHDAC3HDAC4HDAC1
SCHEMBL20668532 0.67 MAOA (0.41) LMNACYP2D6KMT2ABCHEALDH1A1
SCHEMBL11739728 0.66 VDR (0.41) VDRP2RX4LMNAKEAP1NFE2L2
SCHEMBL7490673 0.66 CYP2D6 (0.39) P2RX4LMNAHDAC3HDAC4HDAC1
SCHEMBL9004674 0.66 VDR (0.38) VDRP2RX4LMNACYP2D6KEAP1
SCHEMBL29132778 0.66 TSHR (0.43) CYP2D6KMT2AALDH1A1CYP1A2HTT
SCHEMBL9379877 0.63 DRD2 (0.49) LMNACYP2D6ALDH1A1CYP1A2CYP24A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805870-A4 SPECTROSCOPICALLY DETECTABLE NUCLEIC ACID LIGANDS NEXSTAR PHARMACEUTICALS INC (US) 2004-08-18 — — EP disclosed
EP-0710668-B1 Covalent attachment of thiazole orange to oligonucleotides for use in nucleic acid detection BECTON DICKINSON CO (US) 2000-02-16 — — EP disclosed
EP-0805870-A1 SPECTROSCOPICALLY DETECTABLE NUCLEIC ACID LIGANDS NeXstar Pharmaceuticals, Inc. (US) 1997-11-12 — — EP disclosed
US-5641629-A MEASURING FLUORESCENCE POLARIZATION, ANISOTROPY VALUES OR ROTATIONAL CORRELATION TIMES OF LABELED NUCLEIC ACID LIGAND, ADDING TO SAMPLE, DETERMINING DIFFERENCE IN MEASURED VALUES TO INDICATE PRESENCE OF TARGET COMPOUND GILEAD SCIENCES, INC. 1997-06-24 — — US disclosed
US-5597696-A FLUORESCENCE BECTON DICKINSON AND COMPANY (US) 1997-01-28 — — US disclosed
WO-1996022383-A1 SPECTROSCOPICALLY DETECTABLE NUCLEIC ACID LIGANDS NEXSTAR PHARMACEUTICALS, INC. (US) 1996-07-25 — — WO disclosed
EP-0710668-A2 Covalent attachment of thiazole orange to oligonucleotides for use in nucleic acid detection Becton, Dickinson and Company (US) 1996-05-08 — — EP disclosed
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