SCHEMBL7830433

SCHEMBL7830433

Cc1cn(Cc2ccccn2)c(=O)n(CCCCl)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 8/20 0.45
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
BRD4 O60885 1/20 0.43
NOX4 Q9NPH5 3/20 0.43
HPGD P15428 1/20 0.43
CHRM1 P11229 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
GAA P10253 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
TSHR P16473 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7832968 0.83 HPGD (0.47) BRD4HPGDMEN1KMT2A
SCHEMBL7831207 0.83 GRIN1 (0.41) BRD4GRIN1GRIN2BGABRA1GABRA5
SCHEMBL7830570 0.81 TRPC5 (0.42) KDM4EALDH1A1BRD4HPGDCHRM1
SCHEMBL7821710 0.81 SMN1; SMN2 (0.47) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL7821417 0.79 ALDH1A1 (0.45) KDM4EALDH1A1MAPTCHRM1ADORA3
SCHEMBL7836281 0.78 SMN1; SMN2 (0.43) KDM4EALDH1A1BRD4MAPK1NPSR1
SCHEMBL7822413 0.76 BRD4 (0.43) BRD4HPGDMEN1KMT2A
SCHEMBL7833731 0.76 PDE4A (0.41) ALDH1A1MAPTPKMHPGDMEN1
SCHEMBL7834547 0.76 TSHR (0.44) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL7830310 0.76 MEN1 (0.48) ALDH1A1MAPTPKMBRD4HPGD

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