SCHEMBL19634797

SCHEMBL19634797

CN(C)CCN(CCN(C)C)C(=O)c1cccc(CN)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.53
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PARP1 P09874 3/20 0.47
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
PPARG P37231 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LIMK2 P53671 1/20 0.41
AOC3 Q16853 1/20 0.41
SLC7A5 Q01650 2/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL19634703 0.86 HPGD (0.63) LOXL2KMT2AL3MBTL1HPGDTDP1
SCHEMBL19634742 0.82 LOXL2 (0.54) LOXL2KMT2AL3MBTL1HPGDTDP1
SCHEMBL929805 0.82 LOXL2 (0.60) LOXL2KMT2AL3MBTL1NPC1LMNA
Hydrochloric Acid SCHEMBL22261342 0.81 LOXL2 (0.58) LOXL2KMT2AL3MBTL1NPC1LMNA
SCHEMBL19634729 0.80 HDAC3 (0.47) KMT2AL3MBTL1PARP1HPGDTDP1
SCHEMBL13715334 0.77 LOXL2 (0.62) LOXL2KMT2AL3MBTL1NPC1LMNA
SCHEMBL15071548 0.77 HPGD (0.59) KMT2AL3MBTL1HPGDMEN1ALDH1A1
SCHEMBL5109753 0.77 LOXL2 (0.54) LOXL2KMT2APARP1NPC1LMNA
SCHEMBL19634721 0.76 LOXL2 (0.47) LOXL2KMT2AL3MBTL1NPC1LMNA
SCHEMBL19634294 0.75 LOXL2 (0.56) LOXL2KMT2APARP1MEN1SLC7A5

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