SCHEMBL13615157

SCHEMBL13615157

Cc1ccc2cc(SOOO)c(N=Nc3ccc(N=Nc4ccc(N=Nc5ccc6ccc(SOOO)cc6c5)c5ccc(S(=O)(=O)O)cc45)c4ccc(S(=O)(=O)O)cc34)c(O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.45
PTPN11 Q06124 2/20 0.45
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 3/20 0.44
HIF1A Q16665 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SENP3 Q9H4L4 3/20 0.39
SENP2 Q9HC62 3/20 0.39
SENP1 Q9P0U3 3/20 0.39
SUMO2 P61956 2/20 0.39
SUMO1 P63165 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 3/20 0.37
CYP2C19 P33261 2/20 0.37
PHLPP2 Q6ZVD8 1/20 0.36
CD40 P25942 1/20 0.36

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
SCHEMBL13615140 0.88 PTPN11 (0.45) ENPP2PTPN11CYP2C9CYP1A2HIF1A
SCHEMBL13615311 0.86 ENPP2 (0.42) ENPP2PTPN11CYP2C9CYP1A2HIF1A
SCHEMBL13615155 0.83 PTPN11 (0.38) ENPP2PTPN11CYP2C9CYP1A2SENP3
SCHEMBL13010288 0.82 ALDH1A1 (0.47) ENPP2CYP2C9CYP1A2HIF1AALDH1A1
SCHEMBL13921658 0.82 PTPN11 (0.44) ENPP2PTPN11CYP2C9CYP1A2SENP3
SCHEMBL13597670 0.82 ENPP2 (0.45) ENPP2PTPN11CYP2C9CYP1A2HIF1A
SCHEMBL13615136 0.81 ATIC (0.47) ENPP2PTPN11CYP2C9CYP1A2HIF1A
SCHEMBL13615144 0.81 SENP3 (0.43) ENPP2PTPN11CYP2C9CYP1A2HIF1A
SCHEMBL13615179 0.81 MEN1 (0.43) ENPP2PTPN11CYP2C9CYP1A2HIF1A
SCHEMBL13239190 0.80 PHLPP2 (0.49) ENPP2PTPN11CYP2C9CYP1A2HIF1A

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-20090275742-A1 COLORING MATTER FOR ANISOTROPIC COLORING MATTER FILM, COMPOSITION COMPRISING SAID COLORING MATTER, ANISOTROPIC COLORING MATTER FILM, AND POLARIZING ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2009-11-05 US disclosed