SCHEMBL31661816

SCHEMBL31661816

O=C(O)CCCc1ccccc1NC(=O)c1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
SLC16A3 O15427 9/20 0.53
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.48
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.47
PPARG P37231 1/20 0.46
NLRP3 Q96P20 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
Methylamine SCHEMBL27566515 0.83 SMN1; SMN2 (0.52) SMN1; SMN2SLC16A3TDP1L3MBTL1KMT2A
SCHEMBL5657531 0.81 SLC16A3 (0.46) SLC16A3TDP1KMT2AMEN1PPARG
SCHEMBL31661727 0.81 SLC16A3 (0.46) SLC16A3TDP1KMT2AMEN1PPARG
SCHEMBL31661766 0.81 SLC16A3 (0.54) SLC16A3KMT2AMEN1PPARG
SCHEMBL2229279 0.81 SLC16A3 (0.54) SLC16A3KMT2AMEN1PPARG
SCHEMBL4955006 0.80 PPARG (0.71) SMN1; SMN2TDP1L3MBTL1PPARGNLRP3
SCHEMBL13814819 0.78 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1KMT2AMEN1NLRP3
SCHEMBL3863550 0.78 SMN1; SMN2 (0.57) SMN1; SMN2SLC16A3TDP1L3MBTL1KMT2A
SCHEMBL31661740 0.78 LMNA (0.56) SMN1; SMN2SLC16A3TDP1KMT2AMEN1
SCHEMBL28134891 0.78 SLC16A3 (0.52) SLC16A3TDP1KMT2AMEN1PPARG

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
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO claimed
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO disclosed