SCHEMBL8516409

SCHEMBL8516409

CC(=O)On1c(=O)c(-c2cn(Cc3cccc(CN)c3)c3cc4c(cc23)OCO4)nc2c(-c3ccccc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
RXFP1 Q9HBX9 3/20 0.39
POLB P06746 1/20 0.36
EDNRB P24530 5/20 0.36
EDNRA P25101 3/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL8516587 0.89 F2RL3 (0.42) TP53POLB
SCHEMBL8516330 0.89 TP53 (0.42) TP53RXFP1POLBEDNRBEDNRA
SCHEMBL8516993 0.87 CAMK2D (0.37) TP53RXFP1EDNRBMAPT
SCHEMBL7663837 0.87 TP53 (0.44) TP53RXFP1POLBEDNRBEDNRA
SCHEMBL7663857 0.84 RXFP1 (0.40) TP53RXFP1POLBMAPTSMN1; SMN2
SCHEMBL8516339 0.84 F2RL3 (0.44) TP53POLBMAPT
SCHEMBL7660574 0.83 TP53 (0.39) TP53RXFP1POLBMAPTSMN1; SMN2
SCHEMBL7655899 0.83 TP53 (0.39) TP53RXFP1POLBMAPTSMN1; SMN2
Acetic Acid SCHEMBL8516406 0.82 TP53 (0.42) TP53RXFP1POLBEDNRBEDNRA
SCHEMBL8516249 0.77 F2RL3 (0.40) POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed