SCHEMBL11893243

SCHEMBL11893243

COc1cc(N=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)ccc1Nc1nc(Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)nc(NC(C)S(=O)(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.44
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ SUMO2 P61956 1/20 0.36
▸ SUMO1 P63165 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.36
▸ PRMT1 Q99873 1/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ PTPRC P08575 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PTPN1 P18031 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
▸ ALK Q9UM73 3/20 0.33
▸ ROS1 P08922 2/20 0.33
▸ BMPR1B O00238 1/20 0.33

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
SCHEMBL12848075 0.91 ENPP2 (0.49) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL12848394 0.90 CHAT (0.41) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL11893260 0.84 CD40 (0.41) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL13219291 0.83 ENPP2 (0.39) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL12848431 0.83 ATIC (0.38) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL13219119 0.83 ENPP2 (0.40) ENPP2PTPRCALOX15PTPN1PTPN6
SCHEMBL11893253 0.82 CHAT (0.42) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL13219170 0.81 CHAT (0.33) PHLPP2HSD17B10CD40CD40LGCHAT
SCHEMBL13219294 0.81 PHLPP2 (0.37) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL11893167 0.80 CHAT (0.41) ENPP2SUMO2SUMO1SENP7SENP2

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-8226222-B2 Ink set, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-07-24 — — US disclosed
US-20110032302-A1 INK SET, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 — — US disclosed
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