SCHEMBL10911972

SCHEMBL10911972

CCn1cc(C(=O)O)c(=O)c2cnc(-n3ccnc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 3/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 5/20 0.44
CASP1 P29466 1/20 0.44
DRD3 P35462 1/20 0.43
HTT P42858 2/20 0.43
BRD4 O60885 2/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ABCC4 O15439 1/20 0.42

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
SCHEMBL9700859 0.81 DRD3 (0.61) KDM4EHPGDHSD17B10ALDH1A1TDP1
SCHEMBL11713494 0.76 DRD3 (0.65) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL11716631 0.76 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL11713020 0.76 KDM4E (0.66) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL10881020 0.74 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL20241012 0.72 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL11715065 0.71 PIK3CG (0.48) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL9318828 0.70 KDM4E (0.65) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
Rosoxacin SCHEMBL135645 0.70 CAPN1 (0.61) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
Rosoxacin SCHEMBL29361483 0.70 CAPN1 (0.61) KDM4EHPGDHSD17B10ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115049-B1 1-ETHYL-6,8-DIFLUORO-1,4-DIHYDRO-7-(1-IMIDAZOLYL)-4-OXOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR PREPARING THE SAME AND ANTI-MICROBIAL COMPOSITIONS KANEBO, LTD. (JP) 1986-09-10 EP disclosed
US-4530930-A Antimicrobial 1-ethyl-6,8-difluoro-1,4-dihydro-7-(1-imidazolyl)-4-oxoquinoline-3-carboxylic acid derivatives KANEBO, LTD. (JP) 1985-07-23 US disclosed
EP-0115049-A1 1-Ethyl-6,8-difluoro-1,4-dihydro-7-(1-imidazolyl)-4-oxoquinoline-3-carboxylic acid derivatives, process for preparing the same and anti-microbial compositions KANEBO, LTD. (JP) 1984-08-08 EP disclosed