SCHEMBL26310973

SCHEMBL26310973

CCC1Oc2ccc(COC)cc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 3/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL26310974 0.83 PARP1 (0.53) PARP1USP2GAAL3MBTL1MAPK1
SCHEMBL26311050 0.83 L3MBTL1 (0.53) PARP1USP2GAAL3MBTL1MAPK1
SCHEMBL26654694 0.81 HSD17B10 (0.54) PARP1USP2GAAL3MBTL1MAPK1
SCHEMBL23571859 0.79 USP2 (0.65) USP2GAAHSD17B10TP53TSHR
SCHEMBL29823082 0.79 USP2 (0.65) USP2GAAHSD17B10TP53TSHR
SCHEMBL11831795 0.77 HSD17B10 (0.61) PARP1USP2GAAL3MBTL1MAPK1
SCHEMBL23534259 0.77 L3MBTL1 (0.49) PARP1USP2GAAL3MBTL1MAPK1
SCHEMBL7003159 0.77 PARP1 (0.74) PARP1USP2GAAL3MBTL1MAPK1
SCHEMBL18581866 0.76 USP2 (0.56) USP2GAAL3MBTL1HSD17B10TP53
SCHEMBL29498308 0.76 MAOB (0.49) PARP1MAPK1HSD17B10SMN1; SMN2ALDH1A1

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-2023178035-A1 MULTICYCLIC COMPOUNDS SLAP PHARMACEUTICALS LLC (US) 2023-09-21 WO disclosed