SCHEMBL9700859

SCHEMBL9700859

CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3ccnc3)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.61
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 6/20 0.60
HPGD P15428 6/20 0.60
HSD17B10 Q99714 4/20 0.60
HTT P42858 4/20 0.60
LMNA P02545 3/20 0.60
TSHR P16473 2/20 0.60
BRD4 O60885 1/20 0.60
CYP2J2 P51589 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
NPC1 O15118 1/20 0.56
HIF1A Q16665 1/20 0.53
PIK3CG P48736 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50

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
Irloxacin SCHEMBL145215 0.85 DRD3 (0.67) DRD3KDM4EALDH1A1HPGDHSD17B10
Irloxacin SCHEMBL9743701 0.84 DRD3 (0.66) DRD3KDM4EALDH1A1HPGDHSD17B10
Irloxacin SCHEMBL9743690 0.84 DRD3 (0.66) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26193950 0.82 DRD3 (0.60) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10881020 0.81 KDM4E (0.56) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9757197 0.81 DRD3 (0.64) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10911972 0.81 KDM4E (0.48) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL501895 0.80 DRD3 (0.68) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10879645 0.80 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL11022977 0.78 DRD3 (0.83) DRD3KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098913-A Bactericides for grampositive bacteria LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-03-24 US disclosed