SCHEMBL9200701

SCHEMBL9200701

CC(C)(C)OC(=O)NC1C2CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
EPHA2 P29317 1/20 0.64
FLT4 P35916 1/20 0.64
GSK3B P49841 1/20 0.64
RARB P10826 1/20 0.64
TBXAS1 P24557 1/20 0.64
SLC6A3 Q01959 1/20 0.64
LMNA P02545 5/20 0.63
KDM4E B2RXH2 3/20 0.63
HSD17B10 Q99714 3/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
POLB P06746 1/20 0.63
XBP1 P17861 1/20 0.63
NFKB1 P19838 1/20 0.63
HTT P42858 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
DPP4 P27487 6/20 0.42
CYP2C9 P11712 1/20 0.40

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
SCHEMBL9200691 1.00 KMT2A (0.66) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9200695 1.00 KMT2A (0.66) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9203977 0.95 EPHA2 (0.71) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9183667 0.95 EPHA2 (0.71) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9203987 0.95 EPHA2 (0.71) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9155594 0.91 KMT2A (0.68) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8567135 0.87 KMT2A (0.66) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8567144 0.87 KMT2A (0.66) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL21074634 0.87 EPHA2 (0.66) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9185178 0.86 EPHA2 (0.63) KMT2AEPHA2FLT4GSK3BRARB

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
EP-0413455-B1 Azabicyclo quinolone carboxylic acids PFIZER (US) 1995-06-21 EP 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