SCHEMBL22743592

SCHEMBL22743592

O=C(CCC1(N2C(=O)c3ccccc3C2=O)CC1)Nc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ATM Q13315 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL21682036 0.77 POLB (0.69) SMN1; SMN2POLBMAPTALDH1A1MEN1
SCHEMBL22743598 0.76 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1POLBMAPTPRMT5
SCHEMBL24137556 0.76 KMT2A (0.71) SMN1; SMN2MAPTALDH1A1HTTGAA
SCHEMBL22743019 0.76 POLB (0.74) SMN1; SMN2L3MBTL1POLBMAPTALDH1A1
SCHEMBL21684122 0.74 GAA (0.54) SMN1; SMN2L3MBTL1POLBMAPTPRMT5
SCHEMBL22743033 0.74 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1POLBMAPTPRMT5
SCHEMBL22743591 0.73 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1POLBMAPTPRMT5
SCHEMBL22743379 0.73 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1POLBMAPTPRMT5
SCHEMBL22743025 0.73 GAA (0.49) SMN1; SMN2L3MBTL1POLBMAPTPRMT5
SCHEMBL22742986 0.72 GAA (0.48) SMN1; SMN2L3MBTL1POLBMAPTPRMT5

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
WO-2020243178-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2020-12-03 — — WO disclosed
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