SCHEMBL20095441

SCHEMBL20095441

CCNC(=O)c1cccc(NC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
HTR5A P47898 1/20 0.47
HTR6 P50406 1/20 0.47
PARP1 P09874 1/20 0.46
CDK8 P49336 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL10294885 0.86 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1KMT2AGAAHSD17B10
SCHEMBL9713054 0.85 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1KMT2AGAAHSD17B10
SCHEMBL18893269 0.85 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1KMT2AGAAHSD17B10
SCHEMBL13753759 0.83 RAB9A (0.60) SMN1; SMN2KMT2AGAAHSD17B10MEN1
SCHEMBL28145662 0.83 KCNK3 (0.57) SMN1; SMN2L3MBTL1KMT2AGAAMEN1
SCHEMBL19426831 0.83 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1KMT2AGAAHSD17B10
SCHEMBL21792030 0.82 ALDH1A1 (0.59) SMN1; SMN2L3MBTL1KMT2AGAAHSD17B10
SCHEMBL12852589 0.82 GAA (0.76) SMN1; SMN2KMT2AGAAHSD17B10MEN1
SCHEMBL12852621 0.82 NAMPT (0.47) SMN1; SMN2L3MBTL1KMT2AGAAHSD17B10
SCHEMBL2299458 0.82 HDAC8 (0.63) SMN1; SMN2L3MBTL1KMT2AGAAMEN1

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
WO-2018075600-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2018-04-26 WO disclosed