SCHEMBL9535116

SCHEMBL9535116

O=C(O)c1cn(-c2ccccc2)c2nc(N3CCC(O)C3)c(F)cc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
EPHA2 P29317 1/20 0.54
FLT4 P35916 1/20 0.54
GSK3B P49841 1/20 0.54
RARB P10826 1/20 0.54
TBXAS1 P24557 1/20 0.54
SLC6A3 Q01959 1/20 0.54
DPP4 P27487 5/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
XBP1 P17861 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2C9 P11712 1/20 0.47

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
SCHEMBL9535903 0.93 KMT2A (0.61) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9536271 0.93 KMT2A (0.66) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL10904034 0.90 KMT2A (0.77) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL10904868 0.89 KMT2A (0.76) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL19971407 0.86 KMT2A (0.65) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL29979989 0.86 KMT2A (0.65) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL19986854 0.86 KMT2A (0.65) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9539001 0.86 KMT2A (0.55) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL10904169 0.86 KMT2A (0.57) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9536803 0.85 KMT2A (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153580-B2 NAPHTHYRIDINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1993-03-17 EP disclosed
EP-0153580-B1 NAPHTHYRIDINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1989-01-25 EP disclosed
US-4616019-A ANTIBIOTIC ABBOTT LABORATORIES (US) 1986-10-07 US disclosed
EP-0153580-A1 Naphthyridine antibacterial compounds ABBOTT LABORATORIES (US) 1985-09-04 EP disclosed