SCHEMBL13615310

SCHEMBL13615310

Nc1cc2c(O)c(N=Nc3ccc(N=Nc4ccc5c(c4)C(=O)NC5=O)c4ccc(O)cc34)c(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 3/20 0.39
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN11 Q06124 1/20 0.35
ENPP2 Q13822 5/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CD40 P25942 1/20 0.34
CD40LG P29965 1/20 0.34
SENP2 Q9HC62 4/20 0.34
SENP1 Q9P0U3 4/20 0.34
SENP3 Q9H4L4 3/20 0.34
SUMO2 P61956 2/20 0.34
SUMO1 P63165 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
PHLPP2 Q6ZVD8 1/20 0.33
ATIC P31939 1/20 0.32

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
SCHEMBL13615315 0.93 SENP3 (0.42) CYP2C9CYP2C19HSD17B10PTPN11ENPP2
SCHEMBL13615296 0.93 SENP3 (0.42) CYP2C9CYP2C19HSD17B10PTPN11ENPP2
SCHEMBL13921654 0.93 SENP3 (0.42) CYP2C9CYP2C19HSD17B10PTPN11ENPP2
SCHEMBL13615308 0.90 ALDH1A1 (0.42) GLO1CYP2C9CYP2C19HSD17B10ENPP2
SCHEMBL13629226 0.88 GLO1 (0.43) GLO1CYP2C9CYP2C19HSD17B10ENPP2
SCHEMBL13615302 0.88 PHLPP2 (0.42) CYP2C9CYP2C19HSD17B10PTPN11ENPP2
SCHEMBL13615135 0.87 ATIC (0.47) GLO1CYP2C9CYP2C19HSD17B10PTPN11
SCHEMBL13615173 0.87 GLO1 (0.41) GLO1CYP2C9CYP2C19HSD17B10PTPN11
SCHEMBL13615111 0.84 MEN1 (0.42) CYP2C9CYP2C19HSD17B10PTPN11ENPP2
SCHEMBL13615293 0.84 ENPP2 (0.44) HSD17B10PTPN11ENPP2MEN1THRB

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