SCHEMBL23754292

SCHEMBL23754292

CC1N(CCO)CN(CCO)CN1CCO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGL P35573 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MGAM O43451 1/20 0.32
GBA1 P04062 1/20 0.32
LCT P09848 1/20 0.32
SI P14410 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11427654 0.76 AGL (0.33) AGLGAATDP1MGAMGBA1
SCHEMBL4542002 0.76 AGL (0.33) AGLGAATDP1MGAMGBA1
SCHEMBL125784 0.73 ALDH1A1 (0.43) KDM4EALDH1A1MAPTKMT2A
SCHEMBL6375763 0.71 KDM4E (0.39) KDM4EALDH1A1MAPTKMT2A
SCHEMBL12298287 0.71 KDM4E (0.39) KDM4EALDH1A1MAPTKMT2A
Iodide SCHEMBL4542005 0.70 KDM4E (0.42) KDM4EALDH1A1MAPTKMT2A
SCHEMBL27659782 0.70 KDM4E (0.42) KDM4EALDH1A1MAPTKMT2A
SCHEMBL3921405 0.69
SCHEMBL4599512 0.69 GLA (0.36) MAPK1TDP1KDM4EALDH1A1MAPT
SCHEMBL16307631 0.67 GBA1 (0.42) GAAGBA1KDM4EALDH1A1MAPT

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-4103706-A1 MANNANASE VARIANTS BASF SE (DE) 2022-12-21 EP disclosed
WO-2021160816-A1 MANNANASE VARIANTS BASF SE (DE) 2021-08-19 WO disclosed