SCHEMBL11576271

SCHEMBL11576271

CCn1cc(C(=O)O)c(=O)c2c1ccc1c2n(C)c(=O)n1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
HPGD P15428 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 4/20 0.52
TSHR P16473 3/20 0.52
RAB9A P51151 1/20 0.52
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 6/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ABCC4 O15439 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
DRD3 P35462 1/20 0.41
FOXO1 Q12778 1/20 0.40
POLB P06746 1/20 0.38

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
Tioxacin SCHEMBL2109483 0.77 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL14845181 0.77 KDM4E (0.55) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL8627262 0.76 ALDH1A1 (0.54) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL15999546 0.76 KDM4E (0.54) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL8625170 0.74 KDM4E (0.52) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL11512749 0.73 KDM4E (0.51) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL23924269 0.71 HPGD (0.49) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL11512750 0.70 KDM4E (0.48) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL11404246 0.70 KDM4E (0.51) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL24037264 0.69 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10TSHR

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
JP-54144398-A None JP disclosed
JP-S54144398-A IMIDAZOQUINOLINE DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME EISAI CO LTD 1979-11-10 JP disclosed