SCHEMBL31661380

SCHEMBL31661380

CC(=O)Nc1ccc(C(=O)CBr)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
P4HTM Q9NXG6 5/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
CA12 O43570 1/20 0.42
BRD4 O60885 1/20 0.42
NR1I2 O75469 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL17729266 0.85 P4HTM (0.47) ALDH1A1SMN1; SMN2P4HTMKDM4ENAMPT
SCHEMBL15079228 0.84 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL30564676 0.84 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL31661246 0.81 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2HTTL3MBTL1
SCHEMBL29636435 0.80 NAMPT (0.46) P4HTMNAMPT
SCHEMBL2012144 0.80 NAMPT (0.46) P4HTMNAMPT
SCHEMBL3621493 0.80 P4HTM (0.63) ALDH1A1POLBSMN1; SMN2HTTL3MBTL1
SCHEMBL16600880 0.78 GRIN2B (0.47) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL1685926 0.78 NAMPT (0.54) ALDH1A1POLBSMN1; SMN2HTTL3MBTL1
SCHEMBL15060426 0.78 NPSR1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1TP53

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-2025151517-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS ASSOCIATED WITH MISSFOLDING OF ALPHA-SYNUCLEIN PROTEIN WAVEBREAK THERAPEUTICS LIMITED (US) 2025-07-17 WO disclosed