SCHEMBL8801262

SCHEMBL8801262

O=C(O)c1cn(-c2ccc(Cn3ccnn3)cc2)c2cc(N3CCN(c4ccc(O)cc4)CC3)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 3/20 0.54
TOP1 P11387 4/20 0.47
DRD3 P35462 1/20 0.45
CAPN1 P07384 1/20 0.44
PIK3CG P48736 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8801930 0.95 LMNA (0.57) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8804229 0.95 LMNA (0.64) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8801266 0.91 LMNA (0.46) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8801864 0.88 LMNA (0.52) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8801932 0.86 LMNA (0.46) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8801859 0.86 LMNA (0.46) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8804235 0.86 LMNA (0.51) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8801369 0.84 LMNA (0.51) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8801660 0.82 LMNA (0.51) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8801013 0.82 LMNA (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612731-B1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1997-08-20 EP disclosed
EP-0612731-A1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1994-08-31 EP disclosed