SCHEMBL7013585

SCHEMBL7013585

CCOC(=O)c1c(-c2ccc(P(=O)(OCc3ccccc3)OCc3ccccc3)cc2)[nH]c2cc(N3CCN(C)CC3)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
KIF11 P52732 5/20 0.42
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
MAPK10 P53779 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 1/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL7014803 0.86 KIF11 (0.52) KDM4EALDH1A1HPGDKIF11MEN1
SCHEMBL7016620 0.81 KIF11 (0.42) KDM4EALDH1A1HPGDKIF11NPC1
SCHEMBL7011748 0.79 ALOX5 (0.46) KDM4EALDH1A1HPGDKIF11NPC1
SCHEMBL7020424 0.77 ALOX5 (0.46) KDM4EALDH1A1HPGDKIF11NPC1
SCHEMBL7015629 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDNPC1MEN1
SCHEMBL11208613 0.74 GAA (0.47) KDM4EALDH1A1HPGDNPC1MEN1
SCHEMBL7013967 0.74 PRKD3 (0.42) KDM4EALDH1A1HPGDKIF11NPC1
SCHEMBL7149603 0.73 ALOX5 (0.43) KDM4EALDH1A1HPGDKIF11NPC1
SCHEMBL7009049 0.71 ALDH1A1 (0.42) KDM4EALDH1A1HPGDKIF11NPC1
SCHEMBL7010787 0.71 ALOX5 (0.56) KDM4EALDH1A1HPGDNPC1MEN1

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
EP-1313708-A1 QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORPORATION (US) 2003-05-28 EP claimed
WO-2002018345-A1 QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORPORATION (US) 2002-03-07 WO claimed