SCHEMBL9749012

SCHEMBL9749012

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN4CCC3CC4)c(F)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 6/20 0.61
HSD17B10 Q99714 5/20 0.61
HPGD P15428 5/20 0.61
PMP22 Q01453 1/20 0.60
DRD3 P35462 1/20 0.47
LMNA P02545 4/20 0.46
BRD4 O60885 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
CYP2J2 P51589 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNH2 Q12809 4/20 0.45
CYP2C9 P11712 1/20 0.45
ATP6V1B2 P21281 1/20 0.45
TBXA2R P21731 1/20 0.45
EDNRA P25101 1/20 0.45
TARBP2 Q15633 1/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL9837564 0.94 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL9749073 0.91 KDM4E (0.67) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL10883769 0.84 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL9838764 0.82 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL9838612 0.82 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDPMP22
Binfloxacin SCHEMBL1071552 0.82 DRD3 (0.65) KDM4EALDH1A1HSD17B10HPGDDRD3
SCHEMBL312030 0.81 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL312122 0.81 KDM4E (0.72) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL9837294 0.81 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDPMP22
Hydrochloric Acid SCHEMBL9670390 0.81 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDPMP22

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