SCHEMBL1628646

SCHEMBL1628646

CNC1CCCN(c2c(C3CC3)cc3c(=O)c(C(=O)O)c[nH]c3c2OC)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.42
PIM1 P11309 1/20 0.42
TOP1 P11387 2/20 0.41
KDM4E B2RXH2 8/20 0.38
HPGD P15428 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KCNH2 Q12809 3/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DOT1L Q8TEK3 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8113361 0.81 KDM4E (0.40) PIM3TOP1KDM4EHPGDALDH1A1
SCHEMBL1628321 0.79 KCNH2 (0.38) PIM3PIM1TOP1KDM4EHPGD
SCHEMBL1552485 0.79 ALDH1A1 (0.37) PIM3TOP1KDM4EHPGDALDH1A1
SCHEMBL1558105 0.79 ALDH1A1 (0.37) PIM3TOP1KDM4EHPGDALDH1A1
SCHEMBL1628647 0.75 KDM4E (0.33) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL1629770 0.75 KDM4E (0.37) PIM3TOP1KDM4EHPGDALDH1A1
SCHEMBL1556635 0.75 ALDH1A1 (0.45) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL7017055 0.73 KDM4E (0.44) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL6509717 0.72 KCNH2 (0.32) KCNH2
SCHEMBL7519435 0.72 KDM4E (0.34) KDM4EHPGDALDH1A1

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
JP-4669607-B2 2011-04-13 JP claimed
JP-2001516756-A 2001-10-02 JP claimed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP claimed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO claimed