SCHEMBL9749598

SCHEMBL9749598

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4C[C@H]3CN4C)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.64
KDM4E B2RXH2 9/20 0.60
ALDH1A1 P00352 6/20 0.60
HSD17B10 Q99714 4/20 0.60
HTT P42858 4/20 0.60
HPGD P15428 3/20 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
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.53
RAD52 P43351 1/20 0.53
HIF1A Q16665 1/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 1/20 0.53
USP2 O75604 1/20 0.52

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
SCHEMBL9749610 0.93 DRD3 (0.63) DRD3KDM4EALDH1A1HSD17B10HTT
SCHEMBL10480257 0.87 DRD3 (0.63) DRD3KDM4EALDH1A1HSD17B10HTT
SCHEMBL10480290 0.85 DRD3 (0.68) DRD3KDM4EALDH1A1HSD17B10HTT
Danofloxacin SCHEMBL149627 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10HTTHPGD
Danofloxacin SCHEMBL10073753 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10HTTHPGD
Danofloxacin SCHEMBL29658817 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10HTTHPGD
Danofloxacin SCHEMBL9669908 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10HTTHPGD
Danofloxacin SCHEMBL16518619 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10HTTHPGD
SCHEMBL9749465 0.84 KDM4E (0.61) DRD3KDM4EALDH1A1HSD17B10HTT
SCHEMBL9748119 0.84 KDM4E (0.44) DRD3KDM4EALDH1A1HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed
EP-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP disclosed
US-4861779-A Anti-bacterial substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1989-08-29 US disclosed
US-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US disclosed
EP-0215650-A2 Substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1987-03-25 EP disclosed