SCHEMBL31067515

SCHEMBL31067515

O=[N+]([O-])c1cc(C(O)c2ccccc2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ LMNA P02545 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ GRM8 O00222 1/20 0.48
▸ GRM6 O15303 1/20 0.48
▸ GRM4 Q14833 1/20 0.48
▸ VCAM1 P19320 1/20 0.46
▸ CA1 P00915 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ ATM Q13315 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ ATR Q13535 1/20 0.42
▸ ITGB1 P05556 1/20 0.40

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
SCHEMBL9527174 1.00 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL31067609 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL17064740 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL9198122 0.81 LMNA (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL31067431 0.81 VCAM1 (0.54) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL9523568 0.81 VCAM1 (0.54) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL17064620 0.80 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL31067521 0.80 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL2340870 0.79 EPAS1 (0.56) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL27519799 0.78 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2ALMNAMAPT

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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