SCHEMBL7836731

SCHEMBL7836731

COc1ccc(Cn2cc(C)c(=O)n(CCCCl)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
LMNA P02545 3/20 0.45
TP53 P04637 2/20 0.45
TRPC5 Q9UL62 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
CMA1 P23946 1/20 0.42
PDE1A P54750 3/20 0.42
PDE1B Q01064 3/20 0.42
PDE1C Q14123 3/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX4 Q99571 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPBWR1 P48145 1/20 0.41
GSK3A P49840 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 0.84 HPGD (0.47) TRPC5KMT2ATHRBPOLBSMN1; SMN2
SCHEMBL7821322 0.83 ALDH1A1 (0.54) MAPTLMNATP53ALDH1A1KMT2A
SCHEMBL7830570 0.82 TRPC5 (0.42) TRPC5ALDH1A1KMT2AKDM4EMEN1
SCHEMBL7833670 0.79 TRPC5 (0.40) MAPTLMNATRPC5ALDH1A1KMT2A
SCHEMBL7832934 0.79 TRPC5 (0.35) TRPC5ALDH1A1KMT2AMEN1
SCHEMBL7822413 0.77 BRD4 (0.43) TRPC5KMT2AMEN1
SCHEMBL7821417 0.77 ALDH1A1 (0.45) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7821710 0.77 SMN1; SMN2 (0.47) LMNATP53ALDH1A1KMT2AKDM4E
SCHEMBL7832039 0.76 TNF (0.40) MAPTLMNATP53TRPC5ALDH1A1
SCHEMBL6215297 0.76 HPGD (0.49) KMT2ATHRBPOLBMEN1L3MBTL1

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