SCHEMBL7833769

SCHEMBL7833769

Cc1cn(-c2ccccn2)c(=O)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.44
GAA P10253 3/20 0.44
DRD1 P21728 1/20 0.42
CD274 Q9NZQ7 2/20 0.41
PDCD1 Q15116 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SLC11A2 P49281 1/20 0.40
ALDH1A1 P00352 2/20 0.40
EGLN2 Q96KS0 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
TK2 O00142 1/20 0.39
MET P08581 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
VHL P40337 1/20 0.39

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
SCHEMBL14446905 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1GAACD274PDCD1
SCHEMBL7830914 0.78 EGLN2 (0.39) MAPK1HPGDGAAKDM4EEGLN2
SCHEMBL7834516 0.75 HPGD (0.54) SMN1; SMN2MAPK1HPGDKDM4EALDH1A1
SCHEMBL7977989 0.73 CRBN (0.55) SMN1; SMN2MAPK1GAAKDM4EALDH1A1
SCHEMBL7833172 0.72 CYP2E1 (0.46) SMN1; SMN2MAPK1HPGDGAAALDH1A1
SCHEMBL15688187 0.70 MAPK1 (0.46) SMN1; SMN2MAPK1HPGDGAAKDM4E
SCHEMBL2026491 0.70 MAPK1 (0.40) MAPK1HPGDGAAALDH1A1
SCHEMBL19329297 0.69 POLB (0.49) SMN1; SMN2MAPK1GAAKDM4EALDH1A1
SCHEMBL8466158 0.69 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1GAACD274PDCD1
SCHEMBL5166485 0.69 KDM4E (0.56) SMN1; SMN2HPGDGAACD274PDCD1

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