SCHEMBL7830819

SCHEMBL7830819

Cc1cn(CCCCl)c(=O)n(-c2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.43
GSK3B P49841 3/20 0.41
GSK3A P49840 2/20 0.41
MAPK8 P45983 2/20 0.38
MAPK1 P28482 2/20 0.38
PDE4A P27815 4/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
MAPK9 P45984 1/20 0.37
ADORA2B P29275 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7821696 0.86 GSK3A (0.39) GSK3BGSK3AADORA2BNPC1RAB9A
SCHEMBL7830310 0.79 MEN1 (0.48) MAPK1ADORA2BRAB9AALDH1A1LMNA
SCHEMBL14396330 0.76 KMT2A (0.42) GSK3BGSK3AADORA2BLMNAKMT2A
SCHEMBL7831992 0.74 PRKCA (0.38) PGRGSK3BADORA2BALDH1A1L3MBTL1
SCHEMBL7832968 0.73 HPGD (0.47) ADORA2BL3MBTL1HPGDKMT2A
SCHEMBL2349445 0.72 ADORA2B (0.51) MAPK1ADORA2BALDH1A1
SCHEMBL14396282 0.72 KMT2A (0.41) ADORA2BLMNAKMT2A
SCHEMBL7821710 0.69 SMN1; SMN2 (0.47) MAPK1ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL7822413 0.67 BRD4 (0.43) HPGDKMT2A
SCHEMBL7960027 0.67 MEN1 (0.50) GSK3BGSK3AMAPK1RAB9AALDH1A1

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-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed