SCHEMBL6979751

SCHEMBL6979751

Cn1cc[n+](C)c1CCCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.58
MAPK8 P45983 2/20 0.45
MAPK9 P45984 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HTR7 P34969 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37

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
Iodide SCHEMBL7117922 0.99 PGR (0.57) PGRMAPK8MAPK9POLBSMN1; SMN2
SCHEMBL6978729 0.77 PGR (0.59) PGRMAPK8MAPK9POLBSMN1; SMN2
SCHEMBL7651124 0.74 PGR (0.68) PGRMAPK8MAPK9POLBSMN1; SMN2
SCHEMBL6975699 0.72 PGR (0.59) PGRMAPK8MAPK9POLBSMN1; SMN2
SCHEMBL6980685 0.72 PGR (0.56) PGRMAPK8MAPK9POLBSMN1; SMN2
SCHEMBL22201345 0.71 PGR (0.72) PGRMAPK8MAPK9POLBSMN1; SMN2
SCHEMBL6967657 0.71 PGR (0.57) PGRMAPK8MAPK9POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL7124568 0.70 PGR (0.56) PGRMAPK8MAPK9POLBSMN1; SMN2
SCHEMBL6977516 0.70 PGR (0.58) PGRSMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL6980952 0.69 PGR (0.59) PGRMAPK8MAPK9KMT2AMAPT

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
EP-1346992-A1 Quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-09-24 EP disclosed