SCHEMBL31346648

SCHEMBL31346648

Cc1noc(-c2cccc(CON3C(=O)c4ccccc4C3=O)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
MET P08581 1/20 0.47
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
PDK2 Q15119 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
POLB P06746 2/20 0.39
GABRA5 P31644 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGDR Q13258 1/20 0.37

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
SCHEMBL31346681 0.82 L3MBTL1 (0.51) METMAPTKMT2AMEN1TP53
SCHEMBL31346651 0.78 MAPT (0.51) MAPTKMT2AMEN1TP53SMN1; SMN2
SCHEMBL31346663 0.76 MAPK1 (0.50) MAPTKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL31346660 0.75 IDO1 (0.50) PARP1METMAPTTP53PTGDR
SCHEMBL21257486 0.73 PARP1 (0.54) PARP1METMAPTKMT2AMEN1
SCHEMBL22469950 0.72 S1PR1 (0.56) PARP1METMAPTTP53PDK2
SCHEMBL725001 0.72 PARP1 (0.53) PARP1METMAPTTP53HCRTR1
SCHEMBL9671915 0.72 MEN1 (0.56) MAPTKMT2AMEN1ATM
SCHEMBL30018059 0.72 S1PR1 (0.56) PARP1METMAPTTP53PDK2
SCHEMBL6157145 0.72 KDR (0.66)

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
CN-119390668-A Compound with ketoxime ether structure and application thereof 复旦大学 2025-02-07 CN disclosed