SCHEMBL28249377

SCHEMBL28249377

CC(=O)c1ncc(C)nc1C.CCc1nccnc1C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.30

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
SCHEMBL1532459 0.82 ALDH1A1 (0.36) SMN1; SMN2ABL1
SCHEMBL29361842 0.82 SMN1; SMN2 (0.40) POLBSMN1; SMN2
SCHEMBL2491805 0.82 SMN1; SMN2 (0.40) POLBSMN1; SMN2
SCHEMBL30296925 0.82 ALDH1A1 (0.36) SMN1; SMN2ABL1
SCHEMBL11201451 0.71 MAPKAPK2 (0.35) POLBABL1
SCHEMBL15272101 0.71 JAK3 (0.31)
SCHEMBL14734376 0.69 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL23070827 0.69 TDP1 (0.41) SMN1; SMN2
SCHEMBL14684041 0.69 GRM5 (0.34) POLB
SCHEMBL31046831 0.69 DGAT1 (0.39) 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
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed