SCHEMBL25375693

SCHEMBL25375693

CCOC(=O)C(C#N)N(C=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GAA P10253 1/20 0.43
PIN1 Q13526 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
DHODH Q02127 1/20 0.38
MMP8 P22894 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL5777177 0.77 PIN1 (0.42) SMN1; SMN2KMT2AMEN1PIN1L3MBTL1
SCHEMBL19975026 0.77 PIN1 (0.42) SMN1; SMN2KMT2AMEN1PIN1L3MBTL1
SCHEMBL19975259 0.75 PIN1 (0.40) SMN1; SMN2KMT2AMEN1PIN1L3MBTL1
SCHEMBL7412667 0.74 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1GAAPIN1
SCHEMBL19975386 0.73 POLB (0.43) SMN1; SMN2KMT2AMEN1GAAPIN1
SCHEMBL18039394 0.73 MEN1 (0.37) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL27590398 0.70 MMP8 (0.47) SMN1; SMN2KMT2AMEN1GAAPIN1
SCHEMBL27483206 0.69 HTT (0.43) SMN1; SMN2KMT2AMEN1GAAPIN1
SCHEMBL5847971 0.69 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1GAAL3MBTL1
SCHEMBL31016233 0.68 KMT2A (0.50) SMN1; SMN2KMT2AMEN1GAAL3MBTL1

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-2023146897-A1 2-SUBSTITUTED THIAZOLE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2023-08-03 WO disclosed