SCHEMBL344488

SCHEMBL344488

COc1ccc(C(=S)C(=S)c2ccccc2)c(Cl)c1OC.COc1ccc(C(=S)C(=S)c2ccccc2)c(Cl)c1OC.[Ni]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PDE4D Q08499 1/20 0.35
CLCN2 P51788 1/20 0.35

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
SCHEMBL27978300 0.79 MAPT (0.60) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL27870492 0.78 CES2 (0.50) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL29858547 0.74 ALDH1A1 (0.50) MAPTMAPK1ALDH1A1HPGDTDP1
SCHEMBL9057693 0.73 MAPT (0.51) MAPTKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL2817995 0.73 TDP1 (0.66) MAPTKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL7032033 0.69 MAPT (0.51) MAPTMAPK1TDP1LMNASMN1; SMN2
SCHEMBL31346670 0.69 MAPT (0.51) MAPTKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL4595089 0.69 MAPT (0.64) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL10407306 0.68 TDP1 (0.50) MAPTKDM4EMAPK1HTTTDP1
SCHEMBL6264545 0.68 CES2 (0.63) MAPTKDM4EMAPK1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8820236-B2 Device for supplying radiant energy onto a printing substrate HEIDELBERGER DRUCKMASCHINEN AG (DE) 2014-09-02 US disclosed
US-20120016244-A1 METHODS AND SYSTEMS FOR ENHANCED MEDICAL PROCEDURE VISUALIZATION DOHENY EYE INSTITUTE (US) 2012-01-19 US disclosed
US-8050745-B2 Methods and systems for enhanced medical procedure visualization DOHENY EYE INSTITUTE (US) 2011-11-01 US disclosed
US-20070244367-A1 Methods and systems for enhanced medical procedure visualization DOHENY EYE INSTITUTE (US) 2007-10-18 US disclosed
US-20050235851-A1 Device for supplying radiant energy onto a printing substrate HEIDELBERGER DRUCKMASCHINEN AG (DE) 2005-10-27 US disclosed