SCHEMBL17813907

SCHEMBL17813907

COc1cc(N=Nc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2)c(C)cc1Nc1nc(SCCCS(=O)(=O)O)nc(SCCCS(=O)(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.43
▸ ALDH1A1 P00352 1/20 0.33
▸ HIF1A Q16665 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
▸ PRMT1 Q99873 1/20 0.32
▸ SENP3 Q9H4L4 1/20 0.31
▸ SENP2 Q9HC62 1/20 0.31
▸ SENP1 Q9P0U3 1/20 0.31
▸ CD40 P25942 1/20 0.31
▸ CD40LG P29965 1/20 0.31
▸ PHLPP2 Q6ZVD8 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
SCHEMBL17813983 0.96 ENPP2 (0.46) ENPP2ALDH1A1HIF1APTPN1PTPRC
SCHEMBL17813973 0.91 ATIC (0.40) ENPP2ALDH1A1HIF1ASENP3SENP2
SCHEMBL17814026 0.91 ENPP2 (0.43) ENPP2ALDH1A1HIF1APTPN1PTPRC
SCHEMBL17813900 0.89 ENPP2 (0.39) ENPP2ALDH1A1HIF1APRMT1
SCHEMBL17813912 0.87 ENPP2 (0.38) ENPP2SENP2SENP1
SCHEMBL17813898 0.87 SENP2 (0.35) ENPP2ALDH1A1HIF1AALOX15HSD17B10
SCHEMBL15233456 0.86 ENPP2 (0.42) ENPP2PTPN1PTPRCALOX15PTPN6
SCHEMBL14396883 0.86 ENPP2 (0.42) ENPP2PTPN1PTPRCALOX15PTPN6
SCHEMBL3656757 0.85 SENP2 (0.45) ENPP2SENP3SENP2SENP1
SCHEMBL14408044 0.85 SENP2 (0.45) ENPP2SENP3SENP2SENP1

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