SCHEMBL14339495

SCHEMBL14339495

CCOc1cc(N=Nc2ccc3cc(SOOO)c(N=Nc4ccc(N=Nc5ccc(N)cc5S(=O)(=O)O)c5ccc(S(=O)(=O)O)cc45)c(O)c3c2)c(OCC)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.40
▸ SENP3 Q9H4L4 4/20 0.39
▸ SENP2 Q9HC62 4/20 0.39
▸ SENP1 Q9P0U3 4/20 0.39
▸ SUMO2 P61956 3/20 0.39
▸ SUMO1 P63165 3/20 0.39
▸ SENP7 Q9BQF6 3/20 0.39
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PHLPP2 Q6ZVD8 2/20 0.37
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ APEX1 P27695 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL14351147 0.90 ENPP2 (0.49) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL14339482 0.84 ENPP2 (0.44) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL13615136 0.81 ATIC (0.47) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL13010288 0.78 ALDH1A1 (0.47) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL13615140 0.78 PTPN11 (0.45) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL13597670 0.77 ENPP2 (0.45) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL13615139 0.77 MEN1 (0.46) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL4401276 0.77 ENPP2 (0.44) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL13615268 0.77 CYP2C9 (0.39) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL13615243 0.77 ENPP2 (0.41) ENPP2SENP3SENP2SENP1SUMO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287830-A1 Trisazo Dye, Composition Containing the Same for Anisotropic Dye Film, Anisotropic Dye Film, and Polarizing Element MITSUBISHI CHEMICAL CORPORATION (JP) 2007-12-13 — — US disclosed
Send feedback