SCHEMBL8801859

SCHEMBL8801859

O=C(O)c1cn(-c2ccc(Cn3ccnn3)cc2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CAPN1 P07384 1/20 0.45
PIM1 P11309 2/20 0.41
TOP1 P11387 5/20 0.41
CYP19A1 P11511 2/20 0.40
GRM2 Q14416 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8801865 0.88 CYP19A1 (0.38) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8803902 0.86 ALDH1A1 (0.52) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8801930 0.86 LMNA (0.57) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8804229 0.86 LMNA (0.64) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8801262 0.86 LMNA (0.57) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8801565 0.85 PIM1 (0.47) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8801287 0.82 TBXAS1 (0.49) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8804845 0.81 PDE4A (0.34) LMNAMEN1KMT2AHPGDPIM1
SCHEMBL8802521 0.81 GRM2 (0.34) LMNAMEN1KMT2APIM1TOP1
SCHEMBL8801660 0.80 LMNA (0.51) LMNAMEN1KMT2AALDH1A1KDM4E

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
JP-6271570-A None JP disclosed
EP-0612731-B1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1997-08-20 EP disclosed
JP-H06271570-A NEW DERIVATIVE OF QUINOLONECARBOXYLIC ACID AND NAPHTHYRIDONECARBOXYLIC ACID BAYER AG 1994-09-27 JP disclosed
EP-0612731-A1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1994-08-31 EP disclosed