SCHEMBL22743025

SCHEMBL22743025

CC(CCCC(=O)Nc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ PRMT5 O14744 1/20 0.44

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
SCHEMBL21684122 0.93 GAA (0.54) GAAPOLBSMN1; SMN2L3MBTL1HPGD
SCHEMBL21682036 0.80 POLB (0.69) POLBSMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL22743019 0.79 POLB (0.74) GAAPOLBSMN1; SMN2L3MBTL1HPGD
SCHEMBL22742986 0.79 GAA (0.48) GAAPOLBSMN1; SMN2L3MBTL1HPGD
SCHEMBL22743591 0.78 SMN1; SMN2 (0.51) GAAPOLBSMN1; SMN2L3MBTL1MAPT
SCHEMBL22743379 0.78 SMN1; SMN2 (0.51) GAAPOLBSMN1; SMN2L3MBTL1MAPT
SCHEMBL22743033 0.77 SMN1; SMN2 (0.52) GAAPOLBSMN1; SMN2L3MBTL1HPGD
SCHEMBL24137556 0.74 KMT2A (0.71) GAASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL22742984 0.74 GAA (0.63) GAAPOLBSMN1; SMN2L3MBTL1HPGD
SCHEMBL27710689 0.74 GAA (0.71) GAAPOLBSMN1; SMN2L3MBTL1HPGD

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
Send feedback