SCHEMBL2602447

SCHEMBL2602447

Cc1cc(S(=O)(=O)O)c2ccc(N=Nc3ccc(N=Nc4ccc([N+](=O)[O-])cc4)c4ccc(S(=O)(=O)O)cc34)c(O)c2c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
HSD17B10 Q99714 4/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 3/20 0.52
HPGD P15428 3/20 0.52
ALOX15 P16050 3/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TP53 P04637 2/20 0.52
THRB P10828 2/20 0.52
MAPK1 P28482 2/20 0.52
BRCA1 P38398 2/20 0.52
RECQL P46063 2/20 0.52
BLM P54132 2/20 0.52
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.52

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
SCHEMBL4075937 0.92 CYP1A2 (0.64) CYP1A2HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL416249 0.87 CYP2C9 (0.56) CYP1A2HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL29595328 0.85 CYP1A2 (0.59) CYP1A2HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL13021202 0.83 CYP1A2 (0.63) CYP1A2HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL13010278 0.83 CYP1A2 (0.68) CYP1A2HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL414245 0.80 CYP2C9 (0.55) CYP1A2HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL163996 0.80 PHLPP2 (0.57) CYP1A2HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL4401271 0.80 CYP2C9 (0.62) HSD17B10ALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL19628862 0.79 CYP1A2 (0.60) CYP1A2HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL13010275 0.79 CYP1A2 (0.64) CYP1A2HSD17B10ALDH1A1CYP2C9CYP2C19

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-8551357-B2 Composite film and method for manufacturing a composite film NITTO DENKO CORPORATION (JP) 2013-10-08 US disclosed
US-20120091393-A1 COMPOSITE FILM AND METHOD FOR MANUFACTURING A COMPOSITE FILM NITTO DENKO CORPORATION (JP) 2012-04-19 US disclosed