SCHEMBL7834547

SCHEMBL7834547

Cc1cn(Cc2ccco2)c(=O)n(CCCCl)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
STAT3 P40763 1/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 3/20 0.43
PKM P14618 3/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 6/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A1 P04798 1/20 0.41

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 0.81 HPGD (0.47) KMT2APOLBMEN1HPGDSMN1; SMN2
SCHEMBL7821710 0.79 SMN1; SMN2 (0.47) KMT2APOLBMEN1HTTMAPK1
SCHEMBL7833670 0.78 TRPC5 (0.40) KMT2APOLBALDH1A1KDM4EHPGD
SCHEMBL7833731 0.78 PDE4A (0.41) TSHRKMT2APOLBMEN1PKM
SCHEMBL7835400 0.78 ALDH1A1 (0.36) TSHRKMT2APOLBMEN1HTT
SCHEMBL7830570 0.76 TRPC5 (0.42) KMT2AMEN1HTTUSP2ALDH1A1
SCHEMBL7830433 0.76 KDM4E (0.45) TSHRKMT2AMEN1MAPK1PKM
SCHEMBL7832039 0.75 TNF (0.40) POLBHTTPKMALDH1A1LMNA
SCHEMBL7836731 0.74 MAPT (0.46) KMT2APOLBMEN1ALOX15ALDH1A1
SCHEMBL7821417 0.74 ALDH1A1 (0.45) HTTALDH1A1KDM4EHSD17B10LMNA

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