SCHEMBL17813900

SCHEMBL17813900

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)c(C)cc1Nc1nc(SCCCCS(=O)(=O)O)nc(SCCCCS(=O)(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.39
▸ PRMT1 Q99873 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HIF1A Q16665 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
SCHEMBL17813907 0.89 ENPP2 (0.43) ENPP2PRMT1ALDH1A1HIF1A
SCHEMBL17813983 0.89 ENPP2 (0.46) ENPP2PRMT1ALDH1A1HIF1A
SCHEMBL17813898 0.84 SENP2 (0.35) ENPP2ALDH1A1HIF1A
SCHEMBL20682128 0.82 SENP2 (0.44) ENPP2
SCHEMBL17814018 0.82 ENPP2 (0.38) ENPP2
SCHEMBL17813899 0.81 ENPP2 (0.41) ENPP2PRMT1
SCHEMBL17814026 0.81 ENPP2 (0.43) ENPP2PRMT1ALDH1A1HIF1A
SCHEMBL3656757 0.80 SENP2 (0.45) ENPP2
SCHEMBL14408044 0.80 SENP2 (0.45) ENPP2
SCHEMBL17813912 0.80 ENPP2 (0.38) ENPP2

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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