SCHEMBL13615246

SCHEMBL13615246

Nc1cc2c(O)c(N=Nc3ccc(N=Nc4ccc(F)cc4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ENPP2 Q13822 6/20 0.45
SENP3 Q9H4L4 5/20 0.45
SENP2 Q9HC62 5/20 0.45
SENP1 Q9P0U3 5/20 0.45
SUMO2 P61956 3/20 0.45
SUMO1 P63165 3/20 0.45
SENP7 Q9BQF6 3/20 0.45
PHLPP2 Q6ZVD8 1/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CD40 P25942 1/20 0.41
CD40LG P29965 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP1A2 P05177 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
SCHEMBL13597670 0.93 ENPP2 (0.45) CYP2C9CYP2C19HSD17B10ENPP2SENP3
SCHEMBL13615252 0.92 ENPP2 (0.44) CYP2C9CYP2C19HSD17B10ENPP2SENP3
SCHEMBL13010288 0.92 ALDH1A1 (0.47) CYP2C9CYP2C19HSD17B10ENPP2SENP3
SCHEMBL13615219 0.91 ENPP2 (0.44) CYP2C9CYP2C19HSD17B10ENPP2SENP3
SCHEMBL4401276 0.91 ENPP2 (0.44) CYP2C9CYP2C19HSD17B10ENPP2SENP3
SCHEMBL8931789 0.90 CYP2C9 (0.45) CYP2C9CYP2C19HSD17B10ENPP2SENP3
SCHEMBL13615280 0.90 MEN1 (0.45) CYP2C9CYP2C19HSD17B10ENPP2SENP3
SCHEMBL13615139 0.89 MEN1 (0.46) CYP2C9CYP2C19HSD17B10ENPP2SENP3
SCHEMBL13615178 0.89 ENPP2 (0.42) CYP2C9CYP2C19HSD17B10ENPP2SENP3
SCHEMBL13615144 0.88 SENP3 (0.43) CYP2C9CYP2C19HSD17B10ENPP2SENP3

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