SCHEMBL17448403

SCHEMBL17448403

CNc1ccc(COC(=O)NCCN)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
TPSAB1 Q15661 5/20 0.47
PRSS1 P07477 3/20 0.47
TPSD1 Q9BZJ3 2/20 0.47
TPSG1 Q9NRR2 2/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 1/20 0.45
PLG P00747 1/20 0.43
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
TGM2 P21980 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLAU P00749 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL17232558 0.86 SMN1; SMN2 (0.49) SMN1; SMN2LMNATPSAB1PRSS1TPSD1
SCHEMBL19154486 0.85 SMN1; SMN2 (0.48) SMN1; SMN2LMNATPSAB1PRSS1TPSD1
SCHEMBL22154185 0.84 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL18430370 0.83 L3MBTL1 (0.45) SMN1; SMN2LMNATPSAB1PRSS1TPSD1
SCHEMBL19154445 0.82 SMN1; SMN2 (0.52) SMN1; SMN2LMNATPSAB1PRSS1TPSD1
SCHEMBL6750273 0.82 ALDH1A1 (0.58) SMN1; SMN2LMNATPSAB1PRSS1TPSD1
SCHEMBL23901065 0.81 SMN1; SMN2 (0.44) SMN1; SMN2LMNATPSAB1PRSS1HTT
SCHEMBL17072452 0.81 SMN1; SMN2 (0.44) SMN1; SMN2LMNATPSAB1PRSS1TPSD1
SCHEMBL19154501 0.81 HTT (0.56) SMN1; SMN2LMNATPSAB1PRSS1TPSD1
SCHEMBL614872 0.81 LMNA (0.71) SMN1; SMN2LMNAHTTL3MBTL1MAPT

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-2016008112-A1 LINKERS AND APPLICATION TOWARDS ADC THEREOF MEDSHINE DISCOVERY INC. (CN) 2016-01-21 WO disclosed