SCHEMBL22743591

SCHEMBL22743591

O=C(CCC(C1CC1)N1C(=O)c2ccccc2C1=O)Nc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ PRMT5 O14744 1/20 0.47
▸ WDR77 Q9BQA1 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ ATM Q13315 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL22743379 1.00 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1MAPTPOLBGAA
SCHEMBL21684122 0.82 GAA (0.54) SMN1; SMN2L3MBTL1MAPTPOLBGAA
SCHEMBL22742537 0.79 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1MAPTPOLBGAA
SCHEMBL22743025 0.78 GAA (0.49) SMN1; SMN2L3MBTL1MAPTPOLBGAA
SCHEMBL22743586 0.77 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MAPTPOLBGAA
SCHEMBL22743378 0.77 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MAPTPOLBGAA
SCHEMBL22742986 0.75 GAA (0.48) SMN1; SMN2L3MBTL1MAPTPOLBGAA
SCHEMBL21682036 0.74 POLB (0.69) SMN1; SMN2MAPTPOLBALDH1A1MEN1
SCHEMBL24137556 0.73 KMT2A (0.71) SMN1; SMN2MAPTGAAALDH1A1HTT
SCHEMBL22742535 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1MAPTPOLBGAA

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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