SCHEMBL7828039

SCHEMBL7828039

O=C(O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
LMNA P02545 4/20 1.00
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.52
TP53 P04637 5/20 0.52
MAPT P10636 2/20 0.48

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
SCHEMBL2675351 0.89 KDM4E (1.00) KDM4ELMNAMEN1KMT2ARECQL
SCHEMBL2610312 0.83 KDM4E (0.71) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL10445864 0.79 LMNA (0.66) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL30309505 0.79 LMNA (0.66) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL9143692 0.79 LMNA (0.64) KDM4ELMNAMEN1KMT2ARECQL
SCHEMBL2676151 0.75 KDM4E (0.73) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL23071158 0.74 LMNA (0.58) KDM4ELMNAMEN1KMT2ARECQL
SCHEMBL362582 0.73 LMNA (0.57) KDM4ELMNAMEN1KMT2AL3MBTL1
SCHEMBL21383288 0.73 MAPK1 (0.58) KDM4ELMNAMEN1KMT2ARECQL
SCHEMBL2676912 0.73 KDM4E (0.65) KDM4ELMNAMEN1KMT2AL3MBTL1

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed