SCHEMBL8804229

SCHEMBL8804229

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 5/20 0.61
HSD17B10 Q99714 4/20 0.61
HPGD P15428 3/20 0.61
TOP1 P11387 5/20 0.48
DRD3 P35462 1/20 0.45
PIK3CG P48736 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
SCHEMBL8801262 0.95 LMNA (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801930 0.95 LMNA (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8804235 0.91 LMNA (0.51) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801864 0.88 LMNA (0.52) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801932 0.86 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801859 0.86 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801266 0.86 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8802764 0.84 CYP3A4 (0.45) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801369 0.84 LMNA (0.51) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8802753 0.84 MEN1 (0.46) LMNAMEN1KMT2AKDM4EALDH1A1

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