SCHEMBL6897930

SCHEMBL6897930

CCOC(=O)c1c(C2CC2)[nH]c2c(F)c(N3CCNC(C)C3)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
HPGD P15428 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 5/20 0.49
PMP22 Q01453 1/20 0.49
KCNH2 Q12809 2/20 0.42
POLB P06746 1/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.37
PIM1 P11309 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PIM3 Q86V86 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6902945 0.89 PLAT (0.38) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL10860469 0.85 KCNH2 (0.43) KCNH2PIM1GSK3AGSK3BPIM3
SCHEMBL10856684 0.84 KDM4E (0.35) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL6904311 0.82 KMT2A (0.39) KDM4EHPGDALDH1A1CYP2C19PLAT
SCHEMBL9675600 0.78 KDM4E (0.54) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL10771130 0.75 NPC1 (0.37) ALDH1A1HSD17B10PLATMEN1KMT2A
SCHEMBL6903139 0.75 RXFP1 (0.41) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL6784057 0.75 KCNH2 (0.66) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL10958351 0.75 KDM4E (0.54) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL10655162 0.74 KDM4E (0.80) KDM4EHPGDALDH1A1HSD17B10PMP22

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