SCHEMBL15440341

SCHEMBL15440341

O=[N+]([O-])Cc1cc(C[N+](=O)[O-])cc(C[N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
CYP19A1 P11511 1/20 0.33
LMNA P02545 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
BLM P54132 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRIK3 Q13003 1/20 0.32

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
SCHEMBL11231941 0.87 TSHR (0.39) TSHRLMNAGRIN2DGRIN3BMAPT
SCHEMBL9321479 0.84 TSHR (0.45) TSHRCYP19A1LMNALOXL2CYP1A2
SCHEMBL1886967 0.82 CYP19A1 (0.54) TSHRCYP19A1LMNALOXL2CYP1A2
SCHEMBL3023794 0.82 IDO1 (0.38) TDP1
SCHEMBL31143050 0.82 TSHR (0.43) TSHRCYP1A2ALDH1A1TDP1
SCHEMBL11779027 0.82 CASP6 (0.41) TSHRLMNAMAPTHPGDALDH1A1
SCHEMBL9322428 0.81 LOXL2 (0.42) TSHRLOXL2CYP1A2ALDH1A1POLB
SCHEMBL11384467 0.78 POLB (0.44) GRIN2DGRIN3BCYP3A4GRIN1GRIN2A
SCHEMBL11743064 0.77 ALDH1A1 (0.46) TSHRCYP19A1MAPTALDH1A1POLB
SCHEMBL27700418 0.76 CASP6 (0.37) TSHRLMNAMAPTALDH1A1TDP1

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-103424388-B A kind of TNT colorimetric fluorescent detection probe and application process thereof 哈尔滨师范大学 2016-06-22 CN disclosed
US-20140027038-A1 METHOD FOR MANUFACTURING CONDUCTIVE FIBER AND/OR FABRICS, CONDUCTIVE FIBER AND/OR FABRIC, AND METHOD FOR MANUFACTURING CIRCUIT BOARD KOREA INSTITUTE OF MACHINERY & MATERIALS (KR) 2014-01-30 US disclosed