SCHEMBL22129166

SCHEMBL22129166

O=C1NC(=O)c2ccc([N+](=O)[O-])c3c(Br)ccc1c23

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
CES1 P23141 1/20 0.59
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
S100A4 P26447 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
XDH P47989 1/20 0.38
CHEK1 O14757 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
TDP2 O95551 1/20 0.36
PARP1 P09874 1/20 0.36
CASP3 P42574 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27874944 0.79 BCHE (0.59) BCHEACHECES1CYP3A4TDP1
SCHEMBL19358248 0.76 CYP3A4 (0.46) BCHEACHECES1CYP3A4TDP1
SCHEMBL2699746 0.75 BCHE (1.00) BCHEACHECES1CYP3A4TDP1
SCHEMBL767178 0.75 MEN1 (0.63) CYP3A4TDP1PARP1NPSR1MEN1
SCHEMBL9290363 0.73 BCHE (0.51) BCHEACHECES1CYP3A4TDP1
SCHEMBL28414966 0.73 CYP1B1 (0.55) BCHEACHECES1TDP1NPSR1
SCHEMBL421305 0.73 CYP3A4 (0.50) CYP3A4TDP1S100A4TRPV1XDH
SCHEMBL29716114 0.72 PARP1 (0.59) CYP3A4TDP1MAOAMAOBPARP1
SCHEMBL278438 0.72 PARP1 (0.59) CYP3A4TDP1MAOAMAOBPARP1
SCHEMBL9503458 0.70 CYP3A4 (0.51) BCHEACHECES1CYP3A4TDP1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333623-A Fluorescent dye for lysosome marking and synthetic method and application thereof 中国科学院大连化学物理研究所 2020-06-26 CN claimed
CN-111337460-A High-stability Halo-tag probe and synthesis and biological application thereof 中国科学院大连化学物理研究所 2020-06-26 CN claimed
CN-111334072-A Mitochondrial super-resolution fluorescent dye with high brightness and high stability 中国科学院大连化学物理研究所 2020-06-26 CN claimed
CN-111334084-A Mitochondrial fluorescent dye with high brightness, high stability and high permeability 中国科学院大连化学物理研究所 2020-06-26 CN claimed
CN-111333619-B 488nm excited high-stability super-resolution fluorescent dye and synthesis and application thereof 中国科学院大连化学物理研究所 2023-06-20 CN disclosed
CN-111333576-B High-stability wash-free Halo-tag probe and synthetic method and biological application thereof 中国科学院大连化学物理研究所 2022-08-09 CN disclosed
CN-111333622-B High-brightness and high-stability fluorescent dye containing active ester and synthesis and application thereof 中国科学院大连化学物理研究所 2022-08-09 CN disclosed
CN-111333640-B Fluorescent probe for rapidly and specifically labeling SNAP-tag as well as preparation and biological application thereof 中国科学院大连化学物理研究所 2022-06-03 CN disclosed
CN-111333641-B Enhanced fluorescent probe for tetrazine bio-orthogonal labeling and synthesis thereof 中国科学院大连化学物理研究所 2022-05-31 CN disclosed
CN-111334077-B 488nm excited high-brightness and high-stability fluorescent dye and synthetic method thereof 中国科学院大连化学物理研究所 2022-05-06 CN disclosed
CN-111333624-B High-stability wash-free SNAP-tag probe and preparation method and application thereof 中国科学院大连化学物理研究所 2022-03-18 CN disclosed
CN-111333618-B 488nm excited wash-free SNAP-tag probe and preparation method thereof 中国科学院大连化学物理研究所 2022-03-18 CN disclosed
CN-111333623-A Fluorescent dye for lysosome marking and synthetic method and application thereof 中国科学院大连化学物理研究所 2020-06-26 CN disclosed
CN-111334083-A High-brightness high-stability active fluorescent dye and synthesis and application thereof 中国科学院大连化学物理研究所 2020-06-26 CN disclosed
CN-111333646-A High-brightness high-stability wash-free SNAP-tag probe and preparation method and application thereof 中国科学院大连化学物理研究所 2020-06-26 CN disclosed
CN-111337460-A High-stability Halo-tag probe and synthesis and biological application thereof 中国科学院大连化学物理研究所 2020-06-26 CN disclosed
CN-111333622-A High-brightness and high-stability fluorescent dye containing active ester and synthesis and application thereof 中国科学院大连化学物理研究所 2020-06-26 CN disclosed
CN-111333624-A High-stability wash-free SNAP-tag probe and preparation method and application thereof 中国科学院大连化学物理研究所 2020-06-26 CN disclosed
CN-111333677-A 488nm excited mitochondria fluorescent probe and preparation and biological application thereof 中国科学院大连化学物理研究所 2020-06-26 CN disclosed
WO-2020124688-A1 FULL-SPECTRUM HIGH-BRIGHTNESS AND HIGH-STABILITY FLUORESCENT DYES, AND SYNTHESIS AND APPLICATION THEREOF 中国科学院大连化学物理研究所 2020-06-25 WO disclosed