SCHEMBL1156566

SCHEMBL1156566

COc1ccc(C(=S)C(=S)c2ccc(OC)cc2)cc1.COc1ccc(C(=S)C(=S)c2ccc(OC)cc2)cc1.[Ni]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 4/20 0.52
NR1I2 O75469 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
PARP1 P09874 1/20 0.52
PARP10 Q53GL7 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52

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
SCHEMBL6934579 1.00 CES2 (0.56) CES2CES1CA1CA2CA12
SCHEMBL9055034 0.91 CES2 (0.62) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL10908124 0.86 MAPT (0.64) CES2CES1SMN1; SMN2L3MBTL1TP53
SCHEMBL6349116 0.85 CA1 (0.60) CES2CES1CA1CA2CA12
SCHEMBL3448365 0.82 CES2 (0.58) CES2CES1CA1CA2CA12
SCHEMBL10908020 0.82 MAPT (0.64) CES2CES1SMN1; SMN2L3MBTL1TP53
SCHEMBL10045847 0.80 CES2 (0.56) CES2CES1CA1CA2CA12
SCHEMBL12590981 0.78 CES2 (0.54) CES2CES1CA1CA2CA12
SCHEMBL11121048 0.78 CA1 (0.56) CES2CES1CA1CA2CA12
SCHEMBL201860 0.78 CA1 (0.61) CES2CES1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8702223-B2 Infrared-absorbing radiation-curable inks XEROX CORPORATION (US) 2014-04-22 US claimed
US-20120162333-A1 Infrared-Absorbing Radiation-Curable Inks XEROX CORPORATION (US) 2012-06-28 US claimed
US-8702223-B2 Infrared-absorbing radiation-curable inks XEROX CORPORATION (US) 2014-04-22 US disclosed
US-20120162333-A1 Infrared-Absorbing Radiation-Curable Inks XEROX CORPORATION (US) 2012-06-28 US disclosed
US-20110028339-A1 METHODS AND COMPOSITIONS RELATED TO MICROSCALE SAMPLE PROCESSING AND EVALUATION THE UNIVERSITY OF CHICAGO 2011-02-03 US disclosed
WO-2009073632-A1 METHODS AND COMPOSITIONS RELATED TO MICROSCALE SAMPLE PROCESSING AND EVALUATION UNIVERSITY OF CHICAGO (US) 2009-06-11 WO disclosed