SCHEMBL7831992

SCHEMBL7831992

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 2/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PGR P06401 2/20 0.37
BRD4 O60885 3/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2B P29275 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TNF P01375 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7821435 0.86 KDM4E (0.42) ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL7833035 0.86 ADORA2A (0.37) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7832813 0.85 CYP2E1 (0.43) ADORA2BADORA2AMAPTCYP2C9CYP2C19
SCHEMBL7836281 0.81 SMN1; SMN2 (0.43) ALDH1A1KDM4EBRD4TSHRL3MBTL1
SCHEMBL7822421 0.81 ADORA2A (0.33) ALDH1A1ADORA2BADORA2A
SCHEMBL7832968 0.79 HPGD (0.47) HPGDBRD4MEN1KMT2AADORA2B
SCHEMBL7830011 0.79 TSHR (0.34) PRKCAGSK3BTSHRADORA2BL3MBTL1
SCHEMBL7835400 0.79 ALDH1A1 (0.36) ALDH1A1HPGDCYP1A2BLMTSHR
SCHEMBL7834052 0.78 PDE4A (0.40) BRD4ADORA2BTDP1L3MBTL1ADORA2A
SCHEMBL7830936 0.76 TRPC5 (0.33) TSHRMEN1KMT2ATNFADORA2A

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