SCHEMBL28443645

SCHEMBL28443645

O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)c2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CFTR P13569 1/20 0.46
▸ HIF1A Q16665 4/20 0.45
▸ EPAS1 Q99814 4/20 0.45
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RAD51 Q06609 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAP2K3 P46734 1/20 0.38
▸ GUSB P08236 1/20 0.38

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
SCHEMBL28522352 0.79 RAD51 (0.52) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL29535902 0.79 RAD51 (0.52) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL13325874 0.76 KMT2A (0.67) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL28515964 0.76 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL29387143 0.75 RORC (0.54) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL17023890 0.75 MEN1 (0.65) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL17023903 0.74 HPGD (0.55) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL17023874 0.70 KMT2A (0.59) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL13325876 0.70 HIF1A (0.59) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL17023891 0.69 KMT2A (0.57) MEN1KMT2AALDH1A1HPGDGAA

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-111499629-A Fluorescent probe for detecting phosgene, and preparation method and application thereof 曲阜师范大学 2020-08-07 — — CN claimed
CN-111499629-A Fluorescent probe for detecting phosgene, and preparation method and application thereof 曲阜师范大学 2020-08-07 — — CN disclosed
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