SCHEMBL16195585

SCHEMBL16195585

Cc1sc2cc(S(=O)(=O)[O-])ccc2[n+]1CCCS(=O)(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ THRB P10828 2/20 0.54
▸ RECQL P46063 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ APOBEC3A P31941 1/20 0.43
▸ HPGD P15428 4/20 0.43
▸ POLB P06746 3/20 0.42
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL14823540 0.91 MAPT (0.62) MAPTALDH1A1THRBRECQLHSD17B10
SCHEMBL611721 0.83 MAPT (0.53) MAPTALDH1A1THRBRECQLHSD17B10
SCHEMBL3191322 0.80 HSD17B10 (0.59) MAPTALDH1A1THRBRECQLHSD17B10
SCHEMBL1105741 0.80 ALDH1A1 (0.49) MAPTALDH1A1THRBRECQLHSD17B10
SCHEMBL16195477 0.80 MAPT (0.60) MAPTALDH1A1THRBRECQLHSD17B10
Water SCHEMBL1044054 0.79 HSD17B10 (0.58) MAPTALDH1A1THRBRECQLHSD17B10
SCHEMBL16195792 0.78 CYP2C19 (0.51) MAPTALDH1A1THRBRECQLHSD17B10
SCHEMBL6556048 0.76 HSD17B10 (0.58) MAPTALDH1A1THRBRECQLHSD17B10
SCHEMBL10747902 0.76 HSD17B10 (0.61) MAPTALDH1A1THRBRECQLHSD17B10
SCHEMBL9226505 0.76 MAPT (0.62) MAPTALDH1A1THRBRECQLHSD17B10

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
US-9738786-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2017-08-22 — — US disclosed
EP-2758475-B1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LTD (GB) 2017-04-26 — — EP disclosed
US-20160355683-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LIMITED (GB) 2016-12-08 — — US disclosed
US-9376568-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2016-06-28 — — US disclosed
US-20150274976-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LIMITED (GB) 2015-10-01 — — US disclosed
US-9085698-B2 Dyes for labelling molecular ligands ILLUMINA CAMBRIDGE LIMITED (GB) 2015-07-21 — — US disclosed
US-20140323741-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LTD. (GB) 2014-10-30 — — US disclosed
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