SCHEMBL5015622

SCHEMBL5015622

C[C@@H]1CN(c2c(C=O)cc(Br)c(F)c2F)C[C@@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
RAPGEF3 O95398 2/20 0.34
RAPGEF4 Q8WZA2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NPC1 O15118 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PRKDC P78527 1/20 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
SCHEMBL4506693 1.00 KDM4E (0.39) KDM4EHTTRAPGEF3RAPGEF4HSD17B10
SCHEMBL3060327 1.00 KDM4E (0.39) KDM4EHTTRAPGEF3RAPGEF4HSD17B10
SCHEMBL3056872 0.83 KDM4E (0.39) KDM4EHTTHSD17B10MAPTKMT2A
SCHEMBL4505828 0.81 HTT (0.39) KDM4EHTTHSD17B10MAPTKMT2A
SCHEMBL3073265 0.80 KDM4E (0.38) KDM4EHTTHSD17B10MAPTKMT2A
SCHEMBL3052855 0.80 KDM4E (0.36) KDM4EHTTMAPTKMT2AALDH1A1
SCHEMBL2305202 0.80 TSHR (0.38) KDM4EHTTHSD17B10MAPTKMT2A
SCHEMBL4518752 0.78 KDM4E (0.35) KDM4EHTTALDH1A1
SCHEMBL3052833 0.78 HTT (0.33) KDM4EHTTMAPTKMT2AGAA
SCHEMBL3052839 0.78 HTT (0.33) KDM4EHTTMAPTKMT2AGAA

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-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed