SCHEMBL6904411

SCHEMBL6904411

CCOC(=O)c1c(CC)[nH]c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 4/20 0.37
TP53 P04637 1/20 0.37
PTGES O14684 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL15502437 0.81 KCNH2 (0.46) KDM4EALDH1A1ALOX15HPGDTSHR
SCHEMBL7113113 0.77 ALDH1A1 (0.45) KDM4ERXFP1ALDH1A1HSD17B10MAPT
SCHEMBL5856135 0.77 KMT2A (0.61) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL11429696 0.75 ALDH1A1 (0.38) KDM4EALDH1A1MAPTKMT2AALOX5
SCHEMBL11022178 0.72 NPC1 (0.43) KDM4ERXFP1ALDH1A1HPGDMAPT
SCHEMBL13108224 0.70 ADORA3 (0.44) KDM4EALDH1A1ALOX15HPGDTSHR
SCHEMBL13107611 0.69 KDM4E (0.47) KDM4ERXFP1ALDH1A1ALOX15HPGD
SCHEMBL10974102 0.68 NPC1 (0.43) KDM4ERXFP1ALDH1A1ALOX15HPGD
SCHEMBL860929 0.68 KEAP1 (0.57) KDM4EALDH1A1ALOX15HPGDTSHR
SCHEMBL25941697 0.68 MAPT (0.53) ALDH1A1ALOX15HPGDHSD17B10MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401829-A4 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2004-10-27 EP disclosed
EP-1401829-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS Microbiotix, Inc. (US) 2004-03-31 EP disclosed
WO-2002102792-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX, INC. (US) 2002-12-27 WO disclosed