SCHEMBL29355334

SCHEMBL29355334

O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.75
ALDH1A1 P00352 5/20 0.61
LMNA P02545 4/20 0.57
POLB P06746 3/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 3/20 0.54
GAA P10253 1/20 0.53
CES1 P23141 1/20 0.53
MAPK1 P28482 3/20 0.53
TP53 P04637 2/20 0.51
VCAM1 P19320 1/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GPR35 Q9HC97 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP19A1 P11511 1/20 0.49

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
SCHEMBL11230405 1.00 CES2 (0.75) CES2ALDH1A1LMNAPOLBMAPT
Hydrazine SCHEMBL28178906 0.97 CES2 (0.71) CES2ALDH1A1LMNAPOLBMAPT
SCHEMBL28066803 0.86 ALDH1A1 (0.68) CES2ALDH1A1LMNAPOLBMAPT
SCHEMBL5341177 0.86 CES2 (0.63) CES2ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL2157550 0.86 CES2 (1.00) CES2ALDH1A1LMNAPOLBMAPT
SCHEMBL27605266 0.85 CES2 (0.72) CES2ALDH1A1LMNAPOLBMAPT
SCHEMBL9816327 0.84 CES2 (0.55) CES2ALDH1A1LMNAPOLBMAPT
SCHEMBL27605479 0.84 CASP6 (0.62) CES2ALDH1A1LMNAPOLBMAPK1
SCHEMBL11010668 0.84 LMNA (0.60) CES2ALDH1A1LMNAPOLBMAPT
SCHEMBL5313439 0.84 MAPT (0.60) CES2ALDH1A1LMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113972343-B Quantum dot light emitting diode and preparation method thereof TCL科技集团股份有限公司 2024-05-24 CN claimed
CN-113972343-B Quantum dot light emitting diode and preparation method thereof TCL科技集团股份有限公司 2024-05-24 CN disclosed
CN-113972342-B Quantum dot film and preparation method thereof, and quantum dot light-emitting diode and preparation method thereof TCL科技集团股份有限公司 2024-04-30 CN disclosed
CN-111825611-B 4(1H) -quinovone derivatives and uses thereof 刘扶东 2022-09-09 CN disclosed
CN-113972342-A Quantum dot film and preparation method thereof, and quantum dot light-emitting diode and preparation method thereof TCL科技集团股份有限公司 2022-01-25 CN disclosed
CN-113972345-A Quantum dot light-emitting diode and preparation method thereof TCL科技集团股份有限公司 2022-01-25 CN disclosed
CN-113972343-A Quantum dot light-emitting diode and preparation method thereof TCL科技集团股份有限公司 2022-01-25 CN disclosed