SCHEMBL416249

SCHEMBL416249

Nc1ccc(S(=O)(=O)O)c2ccc(N=Nc3ccc(N=Nc4ccc([N+](=O)[O-])cc4)c4ccc(S(=O)(=O)O)cc34)c(O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
HSD17B10 Q99714 3/20 0.56
SENP2 Q9HC62 6/20 0.53
SENP3 Q9H4L4 5/20 0.53
SENP1 Q9P0U3 5/20 0.53
SUMO2 P61956 4/20 0.53
SUMO1 P63165 4/20 0.53
SENP7 Q9BQF6 4/20 0.53
PHLPP2 Q6ZVD8 1/20 0.53
CYP1A2 P05177 3/20 0.49
ENPP2 Q13822 2/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
THRB P10828 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC7A11 Q9UPY5 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL28747688 0.92 CYP1A2 (0.54) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL414840 0.91 CYP1A2 (0.54) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL4075937 0.89 CYP1A2 (0.64) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL2602447 0.87 CYP1A2 (0.53) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL414245 0.85 CYP2C9 (0.55) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL4401271 0.85 CYP2C9 (0.62) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL11140694 0.83 NT5E (0.51) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL11140691 0.83 NT5E (0.51) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL29595328 0.82 CYP1A2 (0.59) CYP2C9CYP2C19HSD17B10SENP2SENP3
SCHEMBL15127517 0.81 ENPP2 (0.54) CYP2C9CYP2C19HSD17B10SENP2SENP3

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-8734677-B2 Liquid-crystal coating fluid and polarizing film NITTO DENKO CORPORATION (JP) 2014-05-27 US disclosed
US-20120062829-A1 LIQUID-CRYSTAL COATING FLUID AND POLARIZING FILM NITTO DENKO CORPORATION (JP) 2012-03-15 US disclosed