SCHEMBL19634645

SCHEMBL19634645

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ITK Q08881 1/20 0.42
PARP1 P09874 3/20 0.41
MAPK10 P53779 4/20 0.41
MAPK8 P45983 2/20 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
SCHEMBL21015219 0.91 LMNA (0.49) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL23471117 0.90 LMNA (0.48) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634647 0.89 LMNA (0.48) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634640 0.88 LMNA (0.53) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL21015218 0.84 LMNA (0.53) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634466 0.81 MEN1 (0.48) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634720 0.80 LMNA (0.48) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634467 0.79 MEN1 (0.46) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19634465 0.78 KMT2A (0.50) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL23471203 0.78 KMT2A (0.54) 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 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