SCHEMBL7833852

SCHEMBL7833852

Cc1nn(Cc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA4 P48058 1/20 0.49
GRIK5 Q16478 1/20 0.49
DAO P14920 1/20 0.49
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.47
PSMD14 O00487 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.46

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
SCHEMBL15563837 0.81 GRIA1 (0.49) HPGDKDM4EKMT2AMEN1GRIA1
SCHEMBL15563887 0.81 DAO (0.49) HPGDKDM4EPOLBKMT2AMEN1
SCHEMBL30928935 0.79 ALDH1A1 (0.57) HPGDKMT2AMEN1MAPTDAO
SCHEMBL15564226 0.76 CNR1 (0.56) HPGDKMT2AMAPTDAOALDH1A1
SCHEMBL7656600 0.75 ALDH1A1 (0.49) POLBKMT2AMEN1MAPTDAO
SCHEMBL12724276 0.75 GRIA1 (0.56) KDM4EPOLBMAPTGRIA1GRIA2
SCHEMBL31194533 0.75 PDE5A (0.47) HPGDKDM4EPOLBKMT2AMEN1
SCHEMBL28113645 0.74 HTR2C (0.43) HPGDKDM4EKMT2AMEN1MAPT
SCHEMBL16968255 0.73 DAO (0.54) KMT2AMEN1GRIA1GRIA2GRIA4
SCHEMBL15563840 0.73 DAO (0.54) HPGDPOLBKMT2AMEN1DAO

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