SCHEMBL6902945

SCHEMBL6902945

CCOC(=O)c1c(C2CC2)[nH]c2c(F)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAT P00750 4/20 0.38
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 6/20 0.37
HPGD P15428 6/20 0.37
HSD17B10 Q99714 6/20 0.37
LMNA P02545 2/20 0.37
BRD4 O60885 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
CYP2J2 P51589 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PMP22 Q01453 1/20 0.36
CYP1A2 P05177 1/20 0.35
TOP2A P11388 1/20 0.35
CYP2C9 P11712 1/20 0.35
TOP2B Q02880 1/20 0.35

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
SCHEMBL6897930 0.89 KDM4E (0.49) PLATALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6904311 0.85 KMT2A (0.39) PLATALDH1A1KDM4EHPGDTSHR
SCHEMBL10860469 0.85 KCNH2 (0.43)
SCHEMBL10771130 0.84 NPC1 (0.37) PLATALDH1A1HSD17B10LMNANPSR1
SCHEMBL10856684 0.84 KDM4E (0.35) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6903139 0.78 RXFP1 (0.41) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6903795 0.76 CYP1A2 (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9674400 0.75 PIM1 (0.42) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9674720 0.75 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9234131 0.74 PIM1 (0.39) ALDH1A1KDM4EHPGDHSD17B10LMNA

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