SCHEMBL8801042

SCHEMBL8801042

O=C(O)c1cn(-c2ccc(Cn3cncn3)cc2)c2cc(N3CCN(c4ccccc4)CC3)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 3/20 0.54
HPGD P15428 2/20 0.54
TOP1 P11387 6/20 0.47
DRD3 P35462 1/20 0.45
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CG P48736 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL9058925 0.94 LMNA (0.56) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8802046 0.93 LMNA (0.52) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801047 0.91 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801642 0.89 LMNA (0.51) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801013 0.87 LMNA (0.61) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9058927 0.87 LMNA (0.45) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801930 0.85 LMNA (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801021 0.85 LMNA (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8800501 0.85 LMNA (0.44) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8802048 0.84 LMNA (0.42) 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