SCHEMBL27680384

SCHEMBL27680384

O=C(O)c1ccc([N+](=O)[O-])c(C(=O)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.67
TDP1 Q9NUW8 2/20 0.62
CASP6 P55212 1/20 0.62
TSHR P16473 2/20 0.57
LMNA P02545 2/20 0.57
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
HCAR3 P49019 1/20 0.53
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
CES1 P23141 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5051298 0.87 SRD5A2 (0.67) SRD5A2TDP1LMNAPOLBMAPK1
SCHEMBL1851121 0.84 CASP6 (0.72) TDP1CASP6TSHRLMNAPOLB
SCHEMBL263830 0.84 CASP6 (0.72) TDP1CASP6TSHRLMNAPOLB
SCHEMBL29249351 0.83 CASP6 (0.70) TDP1CASP6TSHRLMNAPOLB
SCHEMBL4249231 0.81 SRD5A2 (1.00) SRD5A2TDP1TSHRLMNAPOLB
4-Nitrobenzoic Acid SCHEMBL17332065 0.80 TDP1 (0.95) SRD5A2TDP1CASP6TSHRLMNA
SCHEMBL11301789 0.80 MAPK1 (0.60) SRD5A2TDP1TSHRLMNAPOLB
SCHEMBL30435123 0.80 MAPK1 (0.60) SRD5A2TDP1TSHRLMNAPOLB
SCHEMBL27660357 0.79 SRD5A2 (0.64) SRD5A2TDP1LMNAPOLBMAPK1
4-Nitrobenzoic Acid SCHEMBL43476 0.78 TDP1 (1.00) SRD5A2TDP1TSHRLMNAPOLB

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
CN-1950463-B Polymerizable dichromophore dichroic azo dyes ROLIC AG 2011-06-29 CN disclosed
CN-1950463-A Polymerizable dichromophore dichroic azo dyes ROLIC AG (CH) 2007-04-18 CN disclosed