SCHEMBL31067609

SCHEMBL31067609

O=[N+]([O-])c1cc(C(O)c2cccnc2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ CYP17A1 P05093 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GRM8 O00222 1/20 0.41
▸ GRM6 O15303 1/20 0.41
▸ GRM4 Q14833 1/20 0.41
▸ VCAM1 P19320 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39

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
SCHEMBL17064740 1.00 SMN1; SMN2 (0.49) SMN1; SMN2CYP17A1ALDH1A1HIF1ALMNA
SCHEMBL31067705 0.84 MAPT (0.50) SMN1; SMN2CYP17A1LMNAL3MBTL1GRM8
SCHEMBL17064638 0.84 MAPT (0.50) SMN1; SMN2CYP17A1LMNAL3MBTL1GRM8
SCHEMBL9527174 0.83 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HIF1ALMNAGRM8
SCHEMBL31067515 0.83 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HIF1ALMNAGRM8
SCHEMBL9593024 0.78 SMN1; SMN2 (0.54) SMN1; SMN2CYP17A1ALDH1A1LMNAL3MBTL1
SCHEMBL7116027 0.77 SMN1; SMN2 (0.62) SMN1; SMN2CYP17A1ALDH1A1LMNAL3MBTL1
SCHEMBL31067521 0.76 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HIF1ALMNAL3MBTL1
SCHEMBL17064620 0.76 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HIF1ALMNAL3MBTL1
SCHEMBL17064655 0.76 SMN1; SMN2 (0.56) SMN1; SMN2CYP17A1LMNAL3MBTL1GAA

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-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 — — CN disclosed
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