SCHEMBL19634720

SCHEMBL19634720

CC(=O)NCCN1CCN(C(=O)c2cccc(CNC(=O)C(C)C)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 1/20 0.44
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PARP1 P09874 2/20 0.42
ACACB O00763 1/20 0.42
MAPK8 P45983 2/20 0.41
MAPK10 P53779 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL19634640 0.91 LMNA (0.53) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634647 0.86 LMNA (0.48) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL21015218 0.85 LMNA (0.53) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634642 0.85 DRD3 (0.50) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL19634465 0.84 KMT2A (0.50) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634820 0.82 MEN1 (0.46) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL19634645 0.80 LMNA (0.50) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634466 0.80 MEN1 (0.48) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634467 0.78 MEN1 (0.46) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL23471208 0.77 KMT2A (0.61) LMNASMN1; SMN2ALDH1A1MAPTKMT2A

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-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed