SCHEMBL22731966

SCHEMBL22731966

CC(O)N1N=C(c2ccc(O)c(O)c2)CC1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 10/20 0.52
▸ MAOB P27338 8/20 0.52
▸ MAPT P10636 3/20 0.50
▸ PRKCZ Q05513 1/20 0.50
▸ GAA P10253 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ EGFR P00533 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL1659394 0.78 MAPT (0.81) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL107978 0.70 MAPT (0.67) MAOAMAOBMAPTPRKCZ
SCHEMBL4813362 0.70 MAPT (0.67) MAOAMAOBMAPTPRKCZ
SCHEMBL3624616 0.68 NT5E (0.72) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL16181207 0.67 MAPT (1.00) MAOAMAOBMAPTEGFR
SCHEMBL7456837 0.66 MAOB (0.73) MAOAMAOBPRKCZ
SCHEMBL18313851 0.66 GAA (1.00) MAOAMAOBMAPTGAAMEN1
SCHEMBL17454724 0.64 MAOB (0.82) MAOAMAOBALDH1A1KDM4E
SCHEMBL8179557 0.63 MEN1 (0.82) MAOAMAOBMAPTPRKCZGAA
SCHEMBL15301281 0.63 MEN1 (0.60) MAOAMAOBMAPTGAAMEN1

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
EP-2687513-B1 DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2020-12-02 — — EP disclosed
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