SCHEMBL17813958

SCHEMBL17813958

Cc1cc(Nc2nc(NCCS(=O)(=O)O)nc(Nc3ccc(N=Nc4ccc(N=Nc5ccccc5S(=O)(=O)O)cc4S(=O)(=O)O)c(C)c3)n2)ccc1N=Nc1ccc(N=Nc2cccc(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.41
▸ ENPP2 Q13822 7/20 0.39
▸ SENP2 Q9HC62 4/20 0.37
▸ SENP3 Q9H4L4 3/20 0.37
▸ SENP1 Q9P0U3 3/20 0.37
▸ SUMO2 P61956 2/20 0.37
▸ SUMO1 P63165 2/20 0.37
▸ SENP7 Q9BQF6 2/20 0.37
▸ ATIC P31939 2/20 0.36
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ CHAT P28329 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL6125349 0.89 CD40 (0.45) FUT8ENPP2SENP2SENP3SENP1
SCHEMBL17814006 0.88 CD40 (0.44) FUT8ENPP2CD40CD40LGALDH1A1
SCHEMBL17813957 0.85 CD40 (0.44) FUT8ENPP2ATICCD40CD40LG
SCHEMBL17813877 0.85 CD40 (0.41) FUT8ENPP2SENP2SENP3SENP1
SCHEMBL14593372 0.85 KMT2A (0.38) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL17813875 0.84 CD40 (0.43) FUT8ENPP2SENP2SENP3SENP1
SCHEMBL14477177 0.84 CD40 (0.47) FUT8ENPP2CD40CD40LGALDH1A1
SCHEMBL11929777 0.82 CD40 (0.46) FUT8ENPP2CD40CD40LGALDH1A1
SCHEMBL11997050 0.82 CD40 (0.46) FUT8ENPP2CD40CD40LGALDH1A1
SCHEMBL17813879 0.82 CD40 (0.48) FUT8ENPP2SENP2SENP3SENP1

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
Send feedback