SCHEMBL28998621

SCHEMBL28998621

NC[C@H](O)CNc1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.45
GAA P10253 4/20 0.44
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
F10 P00742 1/20 0.41
SYK P43405 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
SCHEMBL12126890 0.89 HTT (0.49) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL15618724 0.89 HTT (0.49) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL15623485 0.89 HTT (0.49) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL5417803 0.89 HTT (0.49) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL16189751 0.89 NPC1 (0.50) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL23030168 0.89 HTT (0.49) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL2867969 0.89 HTT (0.49) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL27627548 0.83 HTT (0.52) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL15440582 0.83 LMNA (0.52) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL30226901 0.83 LMNA (0.52) HTTNPC1RAB9AKMT2AL3MBTL1

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
CN-115902018-A Detection method of linezolid isomer 江苏晨牌药业集团股份有限公司 2023-04-04 CN disclosed