SCHEMBL2744704

SCHEMBL2744704

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.56
▸ CES1 P23141 2/20 0.56
▸ CA1 P00915 6/20 0.55
▸ CA2 P00918 6/20 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
▸ ALDH1A1 P00352 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 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
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 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
SCHEMBL2744701 1.00 CES2 (0.56) CES2CES1CA1CA2CA12
SCHEMBL2884255 0.97 CES2 (0.58) CES2CES1CA1CA2CA12
SCHEMBL2884253 0.97 CES2 (0.58) CES2CES1CA1CA2CA12
SCHEMBL28115320 0.95 CES2 (0.56) CES2CES1CA1CA2CA12
SCHEMBL12263000 0.86 CES2 (0.52) CES2CES1CA1CA2CA12
SCHEMBL8713046 0.78 CES2 (0.67) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL10753412 0.78 PRSS1 (0.61) CES2CES1CA1CA2CA12
SCHEMBL12590981 0.78 CES2 (0.54) CES2CES1CA1CA2CA12
SCHEMBL41021 0.76 CA1 (0.65) CES2CES1CA1CA2CA12
SCHEMBL2957320 0.76 ALDH1A1 (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178265-B2 Electrophotographic photoreceptor having a spectral marker and electrophotographic printer using the same LEXMARK INTERNATIONAL, INC. (US) 2012-05-15 — — US claimed
US-20100167191-A1 Electrophotographic Photoreceptor Having a Spectral Marker and Electrophotographic Printer Using the Same BANK TRUST COMPANY, NATIONAL ASSOCIATION 2010-07-01 — — US claimed
US-8178265-B2 Electrophotographic photoreceptor having a spectral marker and electrophotographic printer using the same LEXMARK INTERNATIONAL, INC. (US) 2012-05-15 — — US disclosed
US-20100167191-A1 Electrophotographic Photoreceptor Having a Spectral Marker and Electrophotographic Printer Using the Same BANK TRUST COMPANY, NATIONAL ASSOCIATION 2010-07-01 — — US disclosed
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