SCHEMBL9826849

SCHEMBL9826849

O=C1[C@H]2COC(c3ccccc3)N2C(=O)N1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ ACHE P22303 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9827209 0.83 POLB (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL9826922 0.83 RAB9A (0.47) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL9771342 0.81 POLB (0.46) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL9826750 0.81 MAPT (0.40) MAPTALDH1A1SCN2AKMT2AMEN1
SCHEMBL9827161 0.80 TSHR (0.50) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL9827278 0.78 POLB (0.55) MAPTALDH1A1SCN2AHTTSMN1; SMN2
SCHEMBL9771318 0.70 TSHR (0.33) ALDH1A1KMT2AL3MBTL1
SCHEMBL9826747 0.68 GAA (0.46) MAPTALDH1A1SCN2AKMT2AMEN1
SCHEMBL9771422 0.68 EP300 (0.49) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11611461 0.66 SCN2A (0.67) MAPTALDH1A1SCN2AHTTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243734-B1 OPTICALLY ACTIVE HYDANTOIN MERCK PATENT GmbH (DE) 1991-07-17 — — EP disclosed
EP-0243734-A2 Optically active hydantoin MERCK PATENT GmbH (DE) 1987-11-04 — — EP disclosed
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