SCHEMBL4401271

SCHEMBL4401271

Nc1ccc(N=Nc2ccc(N=Nc3ccc([N+](=O)[O-])cc3)c3ccc(S(=O)(=O)O)cc23)c2c(O)cc(S(=O)(=O)O)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HSD17B10 Q99714 1/20 0.62
PHLPP2 Q6ZVD8 1/20 0.58
SENP3 Q9H4L4 5/20 0.53
SENP2 Q9HC62 5/20 0.53
SENP1 Q9P0U3 5/20 0.53
SUMO2 P61956 3/20 0.53
SUMO1 P63165 3/20 0.53
SENP7 Q9BQF6 3/20 0.53
ENPP2 Q13822 1/20 0.51
SLC7A11 Q9UPY5 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4401399 0.88 CYP2C9 (0.65) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL416249 0.85 CYP2C9 (0.56) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL163996 0.83 PHLPP2 (0.57) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL22183958 0.82 HSD17B10 (0.56) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL4075937 0.82 CYP1A2 (0.64) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL414245 0.82 CYP2C9 (0.55) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL12177913 0.82 CYP2C9 (0.79) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL12177917 0.82 CYP2C9 (0.75) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL15281252 0.81 HSD17B10 (0.63) CYP2C9CYP2C19HSD17B10PHLPP2SENP3
SCHEMBL24187581 0.81 SENP2 (0.58) CYP2C9CYP2C19HSD17B10PHLPP2SENP3

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-8168082-B2 Liquid crystalline coating solution and polarizing film NITTO DENKO CORPORATION (JP) 2012-05-01 US disclosed
US-20100110361-A1 LIQUID CRYSTALLINE COATING SOLUTION AND POLARIZING FILM NITTO DENKO CORPORATION (JP) 2010-05-06 US disclosed