SCHEMBL5840691

SCHEMBL5840691

NC(=O)Nc1cc(N)ccc1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.51
▸ CD40 P25942 1/20 0.50
▸ CD40LG P29965 1/20 0.50
▸ SENP2 Q9HC62 7/20 0.43
▸ SENP3 Q9H4L4 5/20 0.43
▸ SENP1 Q9P0U3 5/20 0.43
▸ SUMO2 P61956 5/20 0.43
▸ SUMO1 P63165 5/20 0.43
▸ SENP7 Q9BQF6 5/20 0.43
▸ POLB P06746 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PHLPP2 Q6ZVD8 2/20 0.41
▸ ATIC P31939 2/20 0.41
▸ RPS6KA3 P51812 1/20 0.40
▸ SLC7A11 Q9UPY5 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ APP P05067 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL5840682 1.00 ENPP2 (0.51) ENPP2CD40CD40LGSENP2SENP3
SCHEMBL5840703 1.00 ENPP2 (0.51) ENPP2CD40CD40LGSENP2SENP3
SCHEMBL11337114 0.90 ENPP2 (0.43) ENPP2CD40CD40LGSENP2SENP3
SCHEMBL11424803 0.84 ENPP2 (0.43) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL944050 0.83 ENPP2 (0.54) ENPP2CD40CD40LGSENP2SENP3
SCHEMBL11128580 0.83 ENPP2 (0.54) ENPP2CD40CD40LGSENP2SENP3
SCHEMBL14004209 0.82 ENPP2 (0.60) ENPP2POLBCYP2D6PHLPP2RPS6KA3
SCHEMBL11425279 0.82 ALDH1A1 (0.44) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL18218132 0.81 MAPT (0.51) ENPP2CD40CD40LGSENP2SENP3
SCHEMBL6125347 0.80 SENP2 (0.61) ENPP2CD40CD40LGSENP2SENP3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057024-B2 Black-dyeing inks and their use CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-06 — — US disclosed
EP-1149135-B1 BLACK-DYEING INKS AND THEIR USE CIBA SC HOLDING AG (CH) 2004-03-03 — — EP disclosed
US-20030024435-A1 Black-dyeing inks and their use LEHMANN URS (CH) 2003-02-06 — — US disclosed
US-6500247-B1 Black-dyeing inks and their use CIBA SPECIALTY CHEMICALS CORPORATION 2002-12-31 — — US disclosed
EP-1149135-A1 BLACK-DYEING INKS AND THEIR USE Ciba SC Holding AG (CH) 2001-10-31 — — EP disclosed
WO-2000046309-A1 BLACK-DYEING INKS AND THEIR USE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-08-10 — — WO disclosed
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