SCHEMBL17814018

SCHEMBL17814018

COc1cc(N=Nc2ccc3cccc(S(=O)(=O)O)c3c2)c(C)cc1Nc1nc(SCCCCS(=O)(=O)O)nc(SCCCCS(=O)(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.38
▸ ATIC P31939 2/20 0.35
▸ SENP2 Q9HC62 2/20 0.34
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP1 Q9P0U3 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALK Q9UM73 2/20 0.30
▸ INSR P06213 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
SCHEMBL17813912 0.98 ENPP2 (0.38) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL17813973 0.93 ATIC (0.40) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL20682128 0.91 SENP2 (0.44) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL17813983 0.89 ENPP2 (0.46) ENPP2SENP2SENP1
SCHEMBL3656757 0.89 SENP2 (0.45) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL14408044 0.89 SENP2 (0.45) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL17813898 0.89 SENP2 (0.35) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL13901022 0.89 ENPP2 (0.34) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL12591321 0.89 ENPP2 (0.34) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL17813907 0.85 ENPP2 (0.43) ENPP2SENP2SENP1

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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