SCHEMBL20060158

SCHEMBL20060158

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL29581778 0.89 L3MBTL1 (0.44) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL20059894 0.83 TP53 (0.35) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL20059936 0.79 TP53 (0.33) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL20060185 0.74
SCHEMBL20060146 0.73 TP53 (0.36) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL22056814 0.67 ADH1B (0.42) TP53POLBSMN1; SMN2CTDSP1TDP1
SCHEMBL30638791 0.66 DPP7 (0.37) POLB
SCHEMBL20155564 0.65
SCHEMBL21821955 0.64 MAP1LC3B (0.34)
SCHEMBL20059945 0.64 DPP7 (0.35) 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
EP-2595987-B1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed