SCHEMBL20060146

SCHEMBL20060146

CN/C=C1\C(=N)CCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL18871452 0.85 TP53 (0.42) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL20059936 0.79 TP53 (0.33) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL20059894 0.77 TP53 (0.35) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL20060158 0.73 TP53 (0.39) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL7547316 0.67
SCHEMBL14654099 0.66
SCHEMBL20060150 0.65 KDM4E (0.31)
SCHEMBL14135604 0.64
SCHEMBL18871426 0.63 SMN1; SMN2 (0.46) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL4561152 0.63

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-2595987-B1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed