SCHEMBL6587670

SCHEMBL6587670

CCc1c(N2CCC(O)C(CC)C2)c(F)cc2c(=O)c(C(=O)O)cn(CC)c12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 3/20 0.57
PMP22 Q01453 1/20 0.56
KCNH2 Q12809 3/20 0.47
TOP1 P11387 6/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
DRD3 P35462 1/20 0.44
BRD4 O60885 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
CYP2J2 P51589 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6585415 0.90 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL4368134 0.90 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL4379767 0.90 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL4368138 0.90 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL4379770 0.90 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL4368131 0.90 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL6425864 0.89 KCNH2 (0.58) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL6625898 0.89 KCNH2 (0.58) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL4374869 0.87 LMNA (0.59) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL4375687 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10PMP22

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-1453824-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS Wockhardt Limited (IN) 2004-09-08 EP claimed
WO-2003050107-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS WOCKHARDT LIMITED (IN) 2003-06-19 WO claimed
EP-1453824-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS Wockhardt Limited (IN) 2004-09-08 EP disclosed
EP-1392677-A2 CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS Wockhardt Limited (IN) 2004-03-03 EP disclosed
WO-2003050107-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS WOCKHARDT LIMITED (IN) 2003-06-19 WO disclosed
WO-2002085886-A2 CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS WOCKHARDT LIMITED (IN) 2002-10-31 WO disclosed