SCHEMBL22337396

SCHEMBL22337396

CCOC(O)c1c(Cl)nc2ncccn12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
KDM4E B2RXH2 8/20 0.45
HPGD P15428 7/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
NPC1 O15118 1/20 0.36
KCNK3 O14649 5/20 0.35
KCNK9 Q9NPC2 5/20 0.35
GPR139 Q6DWJ6 1/20 0.31
EPHB2 P29323 1/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL21759788 0.76 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL16678509 0.71 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL22276485 0.70 KDM4E (0.52) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL23429123 0.66 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL22519156 0.66 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL21826411 0.65 GAA (0.64) ALDH1A1KDM4EHPGDRAB9AGAA
SCHEMBL14572003 0.65 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL31415413 0.63 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL12146430 0.63 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL11892541 0.63 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10RAB9A

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-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 WO disclosed