SCHEMBL17813973

SCHEMBL17813973

COc1cc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2)c(C)cc1Nc1nc(SCCCS(=O)(=O)O)nc(SCCCS(=O)(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 2/20 0.40
▸ ENPP2 Q13822 7/20 0.38
▸ SENP2 Q9HC62 3/20 0.33
▸ SUMO2 P61956 2/20 0.33
▸ SUMO1 P63165 2/20 0.33
▸ SENP7 Q9BQF6 2/20 0.33
▸ ALK Q9UM73 4/20 0.31
▸ INSR P06213 3/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ SENP1 Q9P0U3 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ ALOX12 P18054 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 0.95 ENPP2 (0.38) ATICENPP2SENP2SUMO2SUMO1
SCHEMBL17814018 0.93 ENPP2 (0.38) ATICENPP2SENP2SUMO2SUMO1
SCHEMBL17813907 0.91 ENPP2 (0.43) ENPP2SENP2SENP1ALDH1A1HIF1A
SCHEMBL3656757 0.91 SENP2 (0.45) ATICENPP2SENP2SUMO2SUMO1
SCHEMBL14408044 0.91 SENP2 (0.45) ATICENPP2SENP2SUMO2SUMO1
SCHEMBL17813976 0.90 ATIC (0.34) ATICENPP2SENP2SUMO2SUMO1
SCHEMBL17813898 0.89 SENP2 (0.35) ATICENPP2SENP2SUMO2SUMO1
SCHEMBL20682128 0.89 SENP2 (0.44) ATICENPP2SENP2SUMO2SUMO1
SCHEMBL17813983 0.88 ENPP2 (0.46) ENPP2SENP2SENP1ALDH1A1HIF1A
SCHEMBL17814026 0.88 ENPP2 (0.43) ENPP2ALDH1A1MAPTCYP1A2POLB

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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