SCHEMBL28892139

SCHEMBL28892139

COc1cc(F)c([N+](=O)[O-])cc1OCc1c(F)c(F)cc2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
CHEK1 O14757 1/20 0.38
NTSR1 P30989 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.37
MAOA P21397 2/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGES O14684 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
TRPA1 O75762 1/20 0.34

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
SCHEMBL30002669 1.00 LMNA (0.44) LMNACASP3SENP8SENP7SENP6
SCHEMBL28959518 0.89 LMNA (0.42) LMNACASP3SENP8SENP7SENP6
SCHEMBL28959464 0.84 L3MBTL1 (0.40) LMNACASP3SENP8SENP7SENP6
SCHEMBL28892522 0.82 MAOA (0.40) KMT2AMAOAMEN1MAPTHTT
SCHEMBL30002412 0.82 MAOA (0.40) KMT2AMAOAMEN1MAPTHTT
SCHEMBL30002055 0.82 SCN1A (0.46) LMNACASP3SENP8SENP7SENP6
SCHEMBL28893045 0.82 SCN1A (0.46) LMNACASP3SENP8SENP7SENP6
SCHEMBL28892166 0.81 L3MBTL1 (0.39) LMNACASP3SENP8SENP7SENP6
SCHEMBL28892922 0.81 ALDH1A1 (0.43) LMNACASP3SENP8SENP7SENP6
SCHEMBL30002047 0.81 ALDH1A1 (0.43) LMNACASP3SENP8SENP7SENP6

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-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed