SCHEMBL4067742

SCHEMBL4067742

Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(/N=N/c3cccc4ccc(S(=O)(=O)O)cc34)c(O)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.64
HSD17B10 Q99714 5/20 0.59
MAPK1 P28482 5/20 0.59
CYP2C9 P11712 5/20 0.59
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 4/20 0.59
THRB P10828 4/20 0.59
KMT2A Q03164 4/20 0.59
HPGD P15428 4/20 0.59
CYP2C19 P33261 4/20 0.59
KDM4E B2RXH2 3/20 0.59
CYP3A4 P08684 3/20 0.59
RECQL P46063 3/20 0.59
TP53 P04637 2/20 0.59
MAPT P10636 2/20 0.59
ALOX15 P16050 2/20 0.59
BRCA1 P38398 2/20 0.59
BLM P54132 2/20 0.59
TSHR P16473 2/20 0.59
APP P05067 1/20 0.59

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
SCHEMBL13021201 0.84 CYP1A2 (0.69) CYP1A2HSD17B10MAPK1CYP2C9ALDH1A1
SCHEMBL29438047 0.82 CYP1A2 (0.62) CYP1A2HSD17B10MAPK1CYP2C9ALDH1A1
SCHEMBL13010278 0.81 CYP1A2 (0.68) CYP1A2HSD17B10MAPK1CYP2C9ALDH1A1
SCHEMBL19131891 0.80 CYP1A2 (0.72) CYP1A2HSD17B10MAPK1CYP2C9ALDH1A1
SCHEMBL13021202 0.80 CYP1A2 (0.63) CYP1A2HSD17B10MAPK1CYP2C9ALDH1A1
SCHEMBL13010275 0.79 CYP1A2 (0.64) CYP1A2HSD17B10MAPK1CYP2C9ALDH1A1
SCHEMBL4075937 0.79 CYP1A2 (0.64) CYP1A2HSD17B10MAPK1CYP2C9ALDH1A1
SCHEMBL2589308 0.78 CYP2C9 (0.61) CYP1A2HSD17B10MAPK1CYP2C9ALDH1A1
SCHEMBL12177920 0.77 CYP1A2 (0.53) CYP1A2HSD17B10MAPK1CYP2C9ALDH1A1
SCHEMBL14148445 0.77 CYP1A2 (0.84) CYP1A2HSD17B10MAPK1CYP2C9ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8790544-B2 Liquid-crystalline coating solution and polarizing film NITTO DENKO CORPORATION (JP) 2014-07-29 US disclosed
US-8790544-B2 Liquid-crystalline coating solution and polarizing film NITTO DENKO CORPORATION (JP) 2014-07-29 US disclosed
US-20120105795-A1 LIQUID-CRYSTALLINE COATING SOLUTION AND POLARIZING FILM NITTO DENKO CORPORATION (JP) 2012-05-03 US disclosed