SCHEMBL6543386

SCHEMBL6543386

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 4/20 0.63
RAB9A P51151 3/20 0.63
NPC1 O15118 2/20 0.63
LMNA P02545 2/20 0.63
HTT P42858 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 1/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
HRH3 Q9Y5N1 1/20 0.54
MMP13 P45452 4/20 0.53
MMP2 P08253 3/20 0.53
ALOX15 P16050 1/20 0.52

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
SCHEMBL6543194 0.91 ALOX15 (0.61) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL6543205 0.89 XDH (0.62) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL6542663 0.85 KDM4E (0.69) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9263164 0.83 KDM4E (0.80) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL710398 0.83 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL30452851 0.81 MET (0.56) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL488122 0.81 MET (0.56) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL2769403 0.80 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL862913 0.80 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL31287835 0.80 KDM4E (0.60) KDM4EALDH1A1HPGDRAB9ANPC1

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 6 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-6608059-B1 Treating bacterial infections SMITHKLINE BEECHAM CORPORATION 2003-08-19 US 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-2002000646-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2002-01-03 WO disclosed
WO-2000078309-A1 INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-28 WO disclosed