SCHEMBL17451277

SCHEMBL17451277

C[C@@H]1CN(c2c(CO)c[c]c(F)c2F)C[C@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 4/20 0.31
NPSR1 Q6W5P4 2/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL2357083 0.77 KDM4E (0.40) KDM4EHTTL3MBTL1MAPTMAPK1
SCHEMBL2306361 0.77 KDM4E (0.40) KDM4EHTTL3MBTL1MAPTMAPK1
SCHEMBL3751398 0.77 KDM4E (0.40) KDM4EHTTL3MBTL1MAPTMAPK1
SCHEMBL3344886 0.73 ALDH1A1 (0.31) KDM4EHTTL3MBTL1MAPK1HSD17B10
SCHEMBL3069796 0.72 KDM4E (0.38) KDM4EHTTMAPTHSD17B10ALDH1A1
SCHEMBL3066491 0.72 KDM4E (0.36) KDM4EHTTMAPTHSD17B10ALDH1A1
SCHEMBL5014297 0.72 KDM4E (0.36) KDM4EHTTL3MBTL1MAPTALDH1A1
SCHEMBL2309750 0.72 TSHR (0.38) KDM4EHTTMAPTHSD17B10ALDH1A1
SCHEMBL2309754 0.71 KDM4E (0.36) KDM4EHTTMAPTHSD17B10ALDH1A1
SCHEMBL3701209 0.71 KDM4E (0.36) KDM4EHTTMAPTHSD17B10ALDH1A1

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
EP-2350077-B1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ENTASIS THERAPEUTICS LTD (GB) 2016-01-27 EP disclosed