SCHEMBL6543205

SCHEMBL6543205

COC(=O)c1cc2cc(OCc3c(Cl)cccc3Cl)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.62
FLT3 P36888 3/20 0.53
ABL1 P00519 2/20 0.53
SRC P12931 2/20 0.53
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
SRD5A2 P31213 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 1/20 0.52
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDGFRB P09619 4/20 0.49
PDGFRA P16234 4/20 0.49
CFD P00746 1/20 0.47

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
SCHEMBL6543386 0.89 KDM4E (0.63) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL6542663 0.87 KDM4E (0.69) FLT3KDM4EALDH1A1HPGDCYP1A2
SCHEMBL6599162 0.82 KDM4E (0.77) XDHFLT3KDM4EALDH1A1HPGD
SCHEMBL6543194 0.80 ALOX15 (0.61) FLT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4314106 0.78 XDH (0.61) XDHFLT3KDM4EALDH1A1HPGD
SCHEMBL6542823 0.77 NR1H4 (0.56) FLT3KDM4EALDH1A1HPGDCYP1A2
SCHEMBL1104006 0.77 PDGFRB (0.77) XDHFLT3KDM4EALDH1A1HPGD
SCHEMBL31361409 0.77 PDGFRB (0.77) XDHFLT3KDM4EALDH1A1HPGD
SCHEMBL30411777 0.75 NR1H4 (0.64) NPC1RAB9AL3MBTL1NR1H4
SCHEMBL975839 0.75 NR1H4 (0.64) NPC1RAB9AL3MBTL1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187607-A4 INDOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
US-6469046-B1 FABH INHIBITORS WHICH ARE USEFUL AS ANTIBIOTICS FOR THE TREATMENT OF GRAM POSITIVE AND GRAM NEGATIVE BACTERIAL INFECTIONS SMITHKLINE BEECHAM CORPORATION 2002-10-22 US disclosed
EP-1187607-A1 INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2002-03-20 EP disclosed
WO-2000078309-A1 INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-28 WO disclosed