SCHEMBL8318664

SCHEMBL8318664

NC1CC2(CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC2)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.74
EPHA2 P29317 1/20 0.71
FLT4 P35916 1/20 0.71
GSK3B P49841 1/20 0.71
RARB P10826 1/20 0.71
TBXAS1 P24557 1/20 0.71
SLC6A3 Q01959 1/20 0.71
LMNA P02545 4/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
POLB P06746 1/20 0.67
XBP1 P17861 1/20 0.67
NFKB1 P19838 1/20 0.67
HTT P42858 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
DPP4 P27487 5/20 0.49
CYP2C9 P11712 2/20 0.45

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
SCHEMBL8322472 0.90 KMT2A (0.72) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9149691 0.86 KMT2A (0.86) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL14499425 0.85 KMT2A (0.75) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL29383684 0.85 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL34354 0.85 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL34355 0.85 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL9323984 0.85 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9838625 0.85 KMT2A (0.72) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL19149806 0.84 KMT2A (0.98) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL3754459 0.84 KMT2A (0.98) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641339-B1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER (US) 1999-09-15 EP claimed
US-5407943-A Azaspiro quinolone antibacterial agents PFIZER INC. (US) 1995-04-18 US claimed
EP-0641339-B1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER (US) 1999-09-15 EP disclosed
US-5407943-A Azaspiro quinolone antibacterial agents PFIZER INC. (US) 1995-04-18 US disclosed
EP-0641339-A1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER INC. (US) 1995-03-08 EP disclosed
WO-1992022550-A1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER INC. (US) 1992-12-23 WO disclosed