SCHEMBL30142393

SCHEMBL30142393

OCc1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.62
ALOX5 P09917 1/20 0.58
MMP12 P39900 1/20 0.56
MMP13 P45452 1/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NFKB1 P19838 2/20 0.54
RAB9A P51151 2/20 0.54
NFKB2 Q00653 2/20 0.54
KMT2A Q03164 2/20 0.54
RELA Q04206 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPY1R P25929 1/20 0.54
P2RY14 Q15391 1/20 0.53
MAOA P21397 2/20 0.50

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
SCHEMBL4909820 1.00 MAOB (0.62) MAOBALOX5MMP12MMP13CA1
SCHEMBL4659168 0.83 MAOB (0.78) MAOBALOX5MMP12MMP13CA1
SCHEMBL4901769 0.83 MAOB (0.62) MAOBALOX5MMP12MMP13CA1
SCHEMBL28209117 0.83 MAOB (0.62) MAOBALOX5MMP12MMP13CA1
SCHEMBL30142395 0.83 MAOB (0.67) MAOBALOX5MMP12MMP13CA1
SCHEMBL6470762 0.83 MAOB (0.62) MAOBALOX5MMP12MMP13CA1
SCHEMBL2056341 0.83 MAOB (0.62) MAOBALOX5MMP12MMP13CA1
SCHEMBL5401392 0.81 FFAR1 (0.67) MAOBMMP12MMP13CA1CA2
SCHEMBL10574661 0.81 HDAC6 (0.52) MAOBALOX5MMP12MMP13CA2
SCHEMBL5032926 0.80 ESR1 (0.70) MAOBALOX5CA1CA2CA9

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-109574965-B Preparation and application of 2- (4-substituent phenyl) -3-formamide benzofuran alkene cyanide compound 上海交通大学 2022-12-30 CN disclosed