SCHEMBL19634465

SCHEMBL19634465

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
PARP1 P09874 1/20 0.44

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 0.89 LMNA (0.53) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL19634701 0.88 KMT2A (0.52) KMT2AMEN1LMNASMN1; SMN2KCNH2
SCHEMBL19634709 0.84 MEN1 (0.56) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL21015218 0.84 LMNA (0.53) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL19634720 0.84 LMNA (0.48) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL19634706 0.83 PARP1 (0.58) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL19634643 0.81 DRD3 (0.52) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL2322582 0.81 SMN1; SMN2 (0.57) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL19634743 0.81 MEN1 (0.52) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL19634649 0.79 MEN1 (0.50) KMT2AMEN1LMNASMN1; 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 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