SCHEMBL17813983

SCHEMBL17813983

COc1cc(N=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c(C)cc1Nc1nc(SCCCS(=O)(=O)O)nc(SCCCS(=O)(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.46
▸ PRMT1 Q99873 1/20 0.33
▸ PTPN1 P18031 3/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ PTPRJ Q12913 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DUSP26 Q9BV47 1/20 0.33
▸ SENP3 Q9H4L4 1/20 0.31
▸ SENP2 Q9HC62 1/20 0.31
▸ SENP1 Q9P0U3 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ PHLPP2 Q6ZVD8 1/20 0.30
▸ FUT8 Q9BYC5 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
SCHEMBL17813907 0.96 ENPP2 (0.43) ENPP2PRMT1PTPN1PTPRCALOX15
SCHEMBL17813912 0.91 ENPP2 (0.38) ENPP2SENP2SENP1
SCHEMBL17814026 0.91 ENPP2 (0.43) ENPP2PRMT1PTPN1PTPRCALOX15
SCHEMBL15233456 0.91 ENPP2 (0.42) ENPP2PRMT1PTPN1PTPRCALOX15
SCHEMBL14396883 0.91 ENPP2 (0.42) ENPP2PRMT1PTPN1PTPRCALOX15
SCHEMBL17813899 0.89 ENPP2 (0.41) ENPP2PRMT1PTPN1PTPRCALOX15
SCHEMBL17813979 0.89 ENPP2 (0.41) ENPP2PRMT1PTPN1PTPRCALOX15
SCHEMBL17814018 0.89 ENPP2 (0.38) ENPP2SENP2SENP1
SCHEMBL17813900 0.89 ENPP2 (0.39) ENPP2PRMT1ALDH1A1HIF1A
SCHEMBL17813973 0.88 ATIC (0.40) ENPP2SENP3SENP2SENP1ALDH1A1

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
Send feedback