SCHEMBL17707249

SCHEMBL17707249

O=S(=O)(O)c1[c]c2cc3ccccc3cc2cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.36
LMNA P02545 1/20 0.35
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 2/20 0.33
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL483064 0.83 SMN1; SMN2 (0.37) SNCALMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL15534273 0.78 ALDH1A1 (0.37) SNCALMNACA1CA2CA9
SCHEMBL6630329 0.76 ALDH1A1 (0.42) SNCALMNACA1CA2TSHR
SCHEMBL11650093 0.76 HPRT1 (0.42) CA1CA2CA9TSHRCYP1A2
SCHEMBL1713483 0.75 ALDH1A1 (0.45) SNCALMNACA1CA2TSHR
SCHEMBL29093382 0.75 ALDH1A1 (0.41) SNCALMNACA1CA2TSHR
SCHEMBL8735604 0.75 LMNA (0.36) LMNACA1CA2CA9TSHR
SCHEMBL852203 0.74 ALDH1A1 (0.44) SNCALMNACA1CA2TSHR
SCHEMBL27727906 0.74 SNCA (0.45) SNCALMNAF2PRSS1PRSS2
SCHEMBL1128294 0.71 CYP1A2 (0.43) CA1CA2CA9F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed