SCHEMBL7821971

SCHEMBL7821971

Cc1nn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.49
HPGD P15428 3/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 1/20 0.47
C5AR1 P21730 1/20 0.47

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
SCHEMBL7835524 0.85 ADORA3 (0.46) KDM4EPOLBHPGDLMNACYP1A2
SCHEMBL30928929 0.80 GRN (0.46) KMT2AHPGDALDH1A1
SCHEMBL30928896 0.80 TDP1 (0.52) MEN1KMT2AHPGDLMNAALDH1A1
SCHEMBL30928916 0.79 ALDH1A1 (0.53) MEN1KMT2AGAAHPGDLMNA
SCHEMBL31122799 0.78 MAPT (0.44) POLBMEN1KMT2AGAAHPGD
SCHEMBL30928887 0.78 ALDH1A1 (0.55) MEN1KMT2AHPGDLMNACYP1A2
SCHEMBL31122803 0.77 ADORA3 (0.41) KDM4EPOLBMEN1KMT2AHPGD
SCHEMBL31122794 0.77 KMT2A (0.42) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL31122798 0.77 ADORA3 (0.41) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL31122820 0.77 ADORA3 (0.41) POLBMEN1KMT2AHPGDLMNA

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