SCHEMBL19634640

SCHEMBL19634640

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KCNH2 Q12809 1/20 0.49
SIGMAR1 Q99720 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
PARP1 P09874 2/20 0.46
MAPK8 P45983 2/20 0.45
MAPK10 P53779 2/20 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
SCHEMBL19634720 0.91 LMNA (0.48) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL21015218 0.91 LMNA (0.53) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634465 0.89 KMT2A (0.50) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634645 0.88 LMNA (0.50) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634466 0.87 MEN1 (0.48) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634467 0.85 MEN1 (0.46) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL23471208 0.85 KMT2A (0.61) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634646 0.84 DRD3 (0.49) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL19634745 0.83 PARP1 (0.59) MAPTPARP1
SCHEMBL23471004 0.80 PARP1 (0.48) MAPTKMT2AMEN1PARP1

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