SCHEMBL29050232

SCHEMBL29050232

O=C1NC(=O)c2c(Cc3ccccc3O)ccc3cccc1c23

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
HSPA5 P11021 1/20 0.42
GAA P10253 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
EGFR P00533 1/20 0.37
PRKCA P17252 1/20 0.37
KMT2A Q03164 3/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 1/20 0.36
GSK3B P49841 1/20 0.36
CHEK1 O14757 4/20 0.36
MEN1 O00255 2/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDK2 P24941 1/20 0.35
WEE1 P30291 3/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL28507256 0.82 PARP1 (0.53) PARP1GAARXFP1NPSR1KMT2A
SCHEMBL4101252 0.79 PARP1 (0.56) PARP1GAARXFP1NPSR1EGFR
SCHEMBL16116423 0.79 PARP1 (0.59) PARP1GAARXFP1NPSR1KMT2A
SCHEMBL1756367 0.78 PARP1 (0.63) PARP1GAARXFP1NPSR1EGFR
SCHEMBL8205632 0.78 PARP1 (0.54) PARP1GAARXFP1NPSR1KMT2A
SCHEMBL11204216 0.77 PARP1 (0.58) PARP1GAARXFP1NPSR1PRKCA
SCHEMBL28295834 0.77 PARP1 (0.58) PARP1GAARXFP1NPSR1KMT2A
SCHEMBL789453 0.77 PARP1 (0.61) PARP1GAARXFP1NPSR1EGFR
SCHEMBL14812508 0.76 PARP1 (0.49) PARP1GAARXFP1NPSR1PRKCA
SCHEMBL11210705 0.76 PARP1 (0.56) PARP1GAARXFP1NPSR1PRKCA

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
CN-115746326-B Light stimulus response europium-based metal organic framework for orderly packaging tetrathiafulvalene object 桂林理工大学 2023-08-15 CN claimed
CN-115746326-B Light stimulus response europium-based metal organic framework for orderly packaging tetrathiafulvalene object 桂林理工大学 2023-08-15 CN disclosed