SCHEMBL4452814

SCHEMBL4452814

CCN(CC)C(C)CCCNc1cc(O)c2nc(C)cc(C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CCR4 P51679 1/20 0.35
KCNH2 Q12809 1/20 0.35
APAF1 O14727 1/20 0.31
RAD52 P43351 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
NR4A2 P43354 1/20 0.31

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
SCHEMBL4452813 0.73 HSP90AA1 (0.45) CCR4
SCHEMBL3453670 0.64 NQO2 (0.49) KDM4ECCR4KCNH2NR4A2
SCHEMBL2639299 0.63 RAC1 (0.63) CCR4KCNH2
Hydrochloric Acid SCHEMBL17022810 0.62 RAC1 (0.64) CCR4KCNH2
SCHEMBL14065421 0.61 CCR4 (0.40) CCR4KCNH2
SCHEMBL13750296 0.60 KDM4E (0.40) KDM4E
SCHEMBL10575025 0.56 ALOX15 (0.35) KDM4E
SCHEMBL2565496 0.56 FDPS (0.31) KDM4EKCNH2
SCHEMBL2565897 0.56 OPRM1 (0.33) KDM4EKCNH2
SCHEMBL2873413 0.56 KDM4E (0.62) L3MBTL1KDM4ENR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO disclosed