SCHEMBL28345280

SCHEMBL28345280

O=c1c2ccccc2[nH]n1-c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 2/20 0.73
TRPV1 Q8NER1 2/20 0.69
ALOX5 P09917 1/20 0.50
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
NOX4 Q9NPH5 1/20 0.47
RAB9A P51151 2/20 0.46
METAP2 P50579 1/20 0.46
PMM2 O15305 1/20 0.46
PHOSPHO1 Q8TCT1 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA5 P31644 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL30423726 0.85 MPI (1.00) MPITRPV1ALOX5TSHRMEN1
SCHEMBL2438599 0.85 MPI (1.00) MPITRPV1ALOX5TSHRMEN1
SCHEMBL4142034 0.84 MPI (0.76) MPITRPV1ALOX5TSHRRAB9A
SCHEMBL11279279 0.82 MPI (0.73) MPITRPV1ALOX5HPGDTSHR
SCHEMBL28396372 0.82 MPI (0.73) MPITRPV1ALOX5HPGDTSHR
SCHEMBL9647788 0.82 MPI (0.73) MPITRPV1ALOX5TSHRKDM4E
SCHEMBL29552755 0.82 MPI (0.73) MPITRPV1ALOX5HPGDTSHR
SCHEMBL28345371 0.82 MPI (0.73) MPITRPV1ALOX5TSHRADORA3
SCHEMBL29021570 0.81 TRPV1 (1.00) MPITRPV1ALOX5TSHRRAB9A
SCHEMBL28399938 0.79 MPI (0.64) MPITRPV1HPGDTSHRNOX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117769427-A Modified nucleosides and nucleotide analogues as antiviral agents for coronaviruses and other viruses 埃默里大学 2024-03-26 CN disclosed
CN-110742892-B Application of 12H-indazole [2,1-a ] cinnoline-12-ketone compound 浙江工业大学 2022-05-24 CN disclosed
CN-110655521-B 12H-indazole [2,1-a ] cinnoline-12-ketone compound and application thereof 浙江工业大学 2020-10-27 CN disclosed
CN-110742892-A Application of 12H-indazole [2,1-a ] cinnoline-12-ketone compound 浙江工业大学 2020-02-04 CN disclosed
CN-110655521-A 12H-indazole [2,1-a ] cinnoline-12-ketone compound and application thereof 浙江工业大学 2020-01-07 CN disclosed