SCHEMBL29015297

SCHEMBL29015297

COc1cc(F)c(F)cc1/C=C(\N=[N+]=[N-])C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM1A O60341 1/20 0.33
▸ NFE2L2 Q16236 2/20 0.33
▸ AKR1C2 P52895 1/20 0.32
▸ TUBB1 Q9H4B7 2/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SLC16A3 O15427 4/20 0.31
▸ SLC16A1 P53985 4/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL29063281 0.90 LMNA (0.34) LMNAMAPK1HTTRAB9AKDM4E
SCHEMBL30396708 0.88 KDM1A (0.34) LMNAMAPK1HTTRAB9AKDM1A
SCHEMBL29062696 0.80 MAPT (0.38) LMNARAB9ASLC16A3SLC16A1KDM4E
SCHEMBL21490371 0.80 CYP1A1 (0.42) MAPK1RAB9AKDM4EKMT2A
SCHEMBL21490370 0.80 CYP1A1 (0.42) MAPK1RAB9AKDM4EKMT2A
SCHEMBL28700331 0.80 CYP1A1 (0.42) MAPK1RAB9AKDM4EKMT2A
SCHEMBL29015549 0.80 MAPT (0.44) LMNAHTTRAB9AKDM4EKMT2A
SCHEMBL25764619 0.78 SMN1; SMN2 (0.34) LMNAHTTRAB9ATUBB1KDM4E
SCHEMBL29062714 0.76 TPMT (0.34) AKR1C2KDM4EGAA
SCHEMBL20604873 0.76 ERN1 (0.40) LMNAHTTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 — — CN disclosed
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