SCHEMBL31067669

SCHEMBL31067669

Nc1cccc(C(O)c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ LMNA P02545 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ APP P05067 1/20 0.54
▸ CYP4F2 P78329 1/20 0.51
▸ CYP4A11 Q02928 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALOX5 P09917 2/20 0.51
▸ SGMS2 Q8NHU3 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL17064305 1.00 MAOB (0.71) MAOBSMN1; SMN2KMT2ALMNAHPGD
SCHEMBL477599 0.91 SMN1; SMN2 (0.62) MAOBSMN1; SMN2KMT2ALMNAHPGD
SCHEMBL17064786 0.90 MAOB (0.60) MAOBSMN1; SMN2KMT2ALMNAHPGD
3-(Benzyloxy)Aniline SCHEMBL29428912 0.84 MAOB (1.00) MAOBSMN1; SMN2APPCYP4F2CYP4A11
3-(Benzyloxy)Aniline SCHEMBL291445 0.84 MAOB (1.00) MAOBSMN1; SMN2APPCYP4F2CYP4A11
SCHEMBL4707722 0.84 ALOX5 (0.59) MAOBSMN1; SMN2KMT2ALMNAHPGD
SCHEMBL7713126 0.84 SMN1; SMN2 (0.56) MAOBSMN1; SMN2KMT2ALMNAHPGD
SCHEMBL17064406 0.84 MAOB (0.57) MAOBSMN1; SMN2KMT2ALMNAHPGD
SCHEMBL4822571 0.83 MAOB (0.68) MAOBSMN1; SMN2KMT2ALMNAHPGD
SCHEMBL5772077 0.83 KMT2A (0.62) MAOBSMN1; SMN2KMT2ALMNAHPGD

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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