SCHEMBL19634467

SCHEMBL19634467

CCN(CC)CCN1CCN(C(=O)c2cccc(CNC(C)=O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 1/20 0.44
PARP1 P09874 5/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPK8 P45983 2/20 0.42
MAPK10 P53779 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL23471235 0.91 MEN1 (0.46) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634466 0.89 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL21015217 0.89 LMNA (0.45) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634640 0.85 LMNA (0.53) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634649 0.84 MEN1 (0.50) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634645 0.79 LMNA (0.50) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634646 0.79 DRD3 (0.49) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL21015218 0.78 LMNA (0.53) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL21015216 0.78 LMNA (0.46) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634720 0.78 LMNA (0.48) MEN1KMT2ALMNASMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed