SCHEMBL9533684

SCHEMBL9533684

Cc1ccc(-c2ccccc2)c(C(=O)OCC[Si](C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 4/20 0.49
TDP1 Q9NUW8 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 1/20 0.48
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
HDAC7 Q8WUI4 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TARBP2 Q15633 1/20 0.40
CYP1A2 P05177 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
SCHEMBL2117 0.86 SCN1A (0.45) TDP1L3MBTL1KDM4EMAPK1SCN1A
SCHEMBL2302 0.84 SCN1A (0.51) TDP1L3MBTL1KDM4EMAPK1SCN1A
SCHEMBL14901089 0.83 KDM4E (0.61) CYP46A1TDP1L3MBTL1KDM4EMAPK1
SCHEMBL10441552 0.83 TSHR (0.59) CYP46A1TDP1L3MBTL1KDM4EMAPK1
SCHEMBL31290645 0.78 CYP46A1 (0.56) CYP46A1TDP1L3MBTL1KDM4EMAPK1
SCHEMBL6215461 0.78 NPC1 (0.41) L3MBTL1KDM4EMAPK1MEN1KMT2A
SCHEMBL1775361 0.77 CYP46A1 (0.72) CYP46A1L3MBTL1KDM4EHDAC7PTGDR2
SCHEMBL6164950 0.75 ALDH1A1 (0.43) TDP1L3MBTL1KDM4EMAPK1MEN1
SCHEMBL2127 0.75 SCN1A (0.50) TDP1L3MBTL1MAPK1SCN1ASCN2A
SCHEMBL12554597 0.74 KDM4E (0.41) TDP1L3MBTL1KDM4EMAPK1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed
EP-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed