SCHEMBL17813899

SCHEMBL17813899

COc1cc(N=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)ccc1Nc1nc(SCCCCCS(=O)(=O)O)nc(SCCCS(=O)(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.41
▸ PRMT1 Q99873 1/20 0.32
▸ RAD52 P43351 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ PTPRC P08575 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PTPN6 P29350 1/20 0.31
▸ PTPN7 P35236 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ PTPRJ Q12913 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ DUSP26 Q9BV47 1/20 0.31
▸ SUMO2 P61956 1/20 0.30
▸ SUMO1 P63165 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP2 Q9HC62 1/20 0.30
▸ PHLPP2 Q6ZVD8 1/20 0.30
▸ TOP2B Q02880 1/20 0.30

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
SCHEMBL15233456 0.98 ENPP2 (0.42) ENPP2PRMT1RAD52NCOA3PTPRC
SCHEMBL14396883 0.98 ENPP2 (0.42) ENPP2PRMT1RAD52NCOA3PTPRC
SCHEMBL15827954 0.91 ENPP2 (0.39) ENPP2PTPRCALOX15PTPN1PTPN6
SCHEMBL17813977 0.91 ENPP2 (0.37) ENPP2PTPRCALOX15PTPN1PTPN6
SCHEMBL17813983 0.89 ENPP2 (0.46) ENPP2PRMT1PTPRCALOX15PTPN1
SCHEMBL12591321 0.89 ENPP2 (0.34) ENPP2RAD52NCOA3HSD17B10SUMO2
SCHEMBL13901022 0.89 ENPP2 (0.34) ENPP2RAD52NCOA3HSD17B10SUMO2
SCHEMBL13100754 0.87 PTPN11 (0.38) ENPP2RAD52NCOA3PTPN11
SCHEMBL12998811 0.87 PTPN11 (0.38) ENPP2RAD52NCOA3PTPN11
SCHEMBL17813979 0.86 ENPP2 (0.41) ENPP2PRMT1PTPRCALOX15PTPN1

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 2 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
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