SCHEMBL19634466

SCHEMBL19634466

CC(=O)NCc1cccc(C(=O)N2CCN(CCN(C)C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PARP1 P09874 4/20 0.44
MAPT P10636 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MAPK8 P45983 2/20 0.43
MAPK10 P53779 2/20 0.43
KDM1A O60341 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 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
SCHEMBL19634467 0.89 MEN1 (0.46) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL21015216 0.88 LMNA (0.46) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL19634640 0.87 LMNA (0.53) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL23471207 0.86 KMT2A (0.50) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL19634743 0.84 MEN1 (0.52) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL19634646 0.81 DRD3 (0.49) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL19634645 0.81 LMNA (0.50) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL21015218 0.80 LMNA (0.53) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL23471235 0.80 MEN1 (0.46) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL19634720 0.80 LMNA (0.48) MEN1KMT2ALMNATSHRSMN1; SMN2

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