SCHEMBL6556048

SCHEMBL6556048

Cc1sc2ccccc2[n+]1CCCCS(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
MAPT P10636 10/20 0.55
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
POLB P06746 3/20 0.51
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 2/20 0.42
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APOBEC3A P31941 1/20 0.39

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
SCHEMBL3191322 0.96 HSD17B10 (0.59) HSD17B10CYP2D6TSHRMAPTALDH1A1
Water SCHEMBL1044054 0.94 HSD17B10 (0.58) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL16865132 0.85 MAPT (0.71) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL3191317 0.82 MAPT (0.74) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL9156344 0.81 MAPT (0.77) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL18655696 0.81 ALDH1A1 (0.48) MAPTALDH1A1HPGDPOLBTHRB
SCHEMBL10747902 0.81 HSD17B10 (0.61) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL13172599 0.80 MAPT (0.55) HSD17B10CYP2D6TSHRMAPTALDH1A1
Water SCHEMBL10952583 0.80 MAPT (0.57) HSD17B10CYP2D6TSHRMAPTALDH1A1
SCHEMBL2906835 0.79 HSD17B10 (0.63) HSD17B10CYP2D6TSHRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013114115-A1 PROCESS FOR DYE PRODUCTION UNIVERSITY OF CENTRAL LANCASHIRE (GB) 2013-08-08 WO disclosed
US-7842811-B2 Cyanine dye compounds Life Technologies Corporation (US) 2010-11-30 US disclosed
US-7737281-B2 Purine based fluorescent dyes ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2010-06-15 US disclosed
US-20100120051-A1 CYANINE DYE COMPOUNDS Life Technologies Corporation (US) 2010-05-13 US disclosed
US-7655409-B2 Have negatively charged substituent for fluorescent staining of DNA; used to distinguish DNA present in a sample from RNA Life Technologies Corporation (US) 2010-02-02 US disclosed
US-20090047683-A1 CYANINE DYE COMPOUNDS INVITROGEN CORPORATION (US) 2009-02-19 US disclosed
US-7446202-B2 Cyanine dye compounds MOLECULAR PROBES, INC. (US) 2008-11-04 US disclosed
EP-1394219-A1 PH sensitive cyanine dyes as reactive fluorescent reagents CARNEGIE-MELLON UNIVERSITY (US) 2004-03-03 EP disclosed
WO-2000075237-A9 pH SENSITIVE CYANINE DYES AS REACTIVE FLUORESCENT REAGENTS UNIV CARNEGIE MELLON (US) 2002-05-10 WO disclosed