SCHEMBL20059936

SCHEMBL20059936

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL20059894 0.86 TP53 (0.35) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL20060146 0.79 TP53 (0.36) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL20060158 0.79 TP53 (0.39) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL14654166 0.69 ALDH1A1 (0.32)
SCHEMBL22056814 0.69 ADH1B (0.42) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL20060210 0.68
SCHEMBL29581778 0.64 L3MBTL1 (0.44) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL7547316 0.63
SCHEMBL18871452 0.63 TP53 (0.42) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL20060159 0.63 MEN1 (0.30)

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