SCHEMBL9180983

SCHEMBL9180983

N[C@@H]1[C@H]2CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]12

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.88
FLT4 P35916 1/20 0.88
GSK3B P49841 1/20 0.88
RARB P10826 1/20 0.88
TBXAS1 P24557 1/20 0.88
SLC6A3 Q01959 1/20 0.88
KMT2A Q03164 1/20 0.82
LMNA P02545 2/20 0.80
KDM4E B2RXH2 1/20 0.80
ALDH1A1 P00352 1/20 0.80
POLB P06746 1/20 0.80
HPGD P15428 1/20 0.80
XBP1 P17861 1/20 0.80
NFKB1 P19838 1/20 0.80
HTT P42858 1/20 0.80
NFKB2 Q00653 1/20 0.80
RELA Q04206 1/20 0.80
HSD17B10 Q99714 1/20 0.80
DPP4 P27487 5/20 0.51
CYP2C9 P11712 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
SCHEMBL9180975 1.00 EPHA2 (0.88) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9180985 1.00 EPHA2 (0.88) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL373984 0.94 KMT2A (0.90) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL9177464 0.94 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL20769811 0.94 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL34465 0.94 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL34466 0.94 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL29384064 0.94 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL29688441 0.94 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL1902266 0.94 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413455-B1 Azabicyclo quinolone carboxylic acids PFIZER (US) 1995-06-21 EP disclosed
US-5391763-A 3-aza-bicyclo[3.1.0]hexanes which are intermediates for anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1995-02-21 US disclosed
US-5266569-A Azatricyclo carboxylic acids useful as anti-bacterial agents PFIZER INC. (US) 1993-11-30 US disclosed
US-5229396-A Anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1993-07-20 US disclosed
US-5164402-A Bactericides PFIZER INC (US) 1992-11-17 US disclosed
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP disclosed