SCHEMBL7833356

SCHEMBL7833356

Cc1cn(-c2ccncc2)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.41
TK2 O00142 3/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
AR P10275 1/20 0.37
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
POLB P06746 1/20 0.36
ADRA1A P35348 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
SCHEMBL7834516 0.82 HPGD (0.54) PKMMAPK1KMT2ATK2HPGD
SCHEMBL7833172 0.82 CYP2E1 (0.46) MAPK1HPGDMAPTALDH1A1NPC1
SCHEMBL20577849 0.80 ATM (0.48) PKMMAPK1KMT2AHPGDL3MBTL1
SCHEMBL23296150 0.79 PKM (0.45) PKMMAPK1KMT2AHPGDL3MBTL1
SCHEMBL7830376 0.79 ALDH1A1 (0.47) PKMMAPK1KMT2AHPGDL3MBTL1
SCHEMBL23345942 0.77 PKM (0.43) PKMMAPK1KMT2AHPGDL3MBTL1
SCHEMBL5330807 0.76 PKM (0.42) PKMMAPK1KMT2AHPGDL3MBTL1
SCHEMBL23296109 0.74 ACHE (0.46) PKMKMT2AHPGDL3MBTL1MEN1
SCHEMBL7833195 0.73 MAPK1 (0.40) PKMMAPK1KMT2AHPGDL3MBTL1
SCHEMBL15345004 0.73 MAPT (0.53) MAPK1KMT2AHPGDL3MBTL1MAPT

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