SCHEMBL9539015

SCHEMBL9539015

O=C(O)c1cn(-c2ccc(O)cc2)c2nc(N3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
EPHA2 P29317 1/20 0.53
FLT4 P35916 1/20 0.53
GSK3B P49841 1/20 0.53
RARB P10826 1/20 0.53
TBXAS1 P24557 1/20 0.53
SLC6A3 Q01959 1/20 0.53
LMNA P02545 4/20 0.52
CYP2C9 P11712 1/20 0.52
ATP6V1B2 P21281 1/20 0.52
TBXA2R P21731 1/20 0.52
EDNRA P25101 1/20 0.52
TARBP2 Q15633 1/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
HSP90AA1 P07900 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49

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
SCHEMBL9539879 0.99 KMT2A (0.55) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9537740 0.94 KMT2A (0.58) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9537382 0.93 KMT2A (0.59) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9536803 0.93 KMT2A (0.55) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL27789137 0.92 KMT2A (0.52) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9539001 0.92 KMT2A (0.55) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL11017455 0.90 LMNA (0.62) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9538141 0.90 LMNA (0.66) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL11017753 0.90 KMT2A (0.52) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9535903 0.85 KMT2A (0.61) 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 2 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-A1 Naphthyridine antibacterial compounds ABBOTT LABORATORIES (US) 1985-09-04 EP disclosed