SCHEMBL7821710

SCHEMBL7821710

Cc1ccccc1Cn1cc(C)c(=O)n(CCCCl)c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
THRB P10828 4/20 0.45
GAA P10253 3/20 0.44
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPK1 P28482 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 0.86 HPGD (0.47) SMN1; SMN2POLBTHRBRXFP1MEN1
SCHEMBL7832039 0.86 TNF (0.40) SMN1; SMN2POLBGAATP53ALDH1A1
SCHEMBL7821737 0.82 POLB (0.46) SMN1; SMN2POLBTHRBGAARXFP1
SCHEMBL7830433 0.81 KDM4E (0.45) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL7822413 0.79 BRD4 (0.43) MEN1KMT2A
SCHEMBL7830570 0.79 TRPC5 (0.42) RXFP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7833731 0.79 PDE4A (0.41) POLBTP53ALDH1A1MEN1KMT2A
SCHEMBL7834547 0.79 TSHR (0.44) SMN1; SMN2POLBGAAALDH1A1MEN1
SCHEMBL7830310 0.78 MEN1 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6215297 0.78 HPGD (0.49) POLBTHRBMEN1KMT2AL3MBTL1

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