SCHEMBL8804235

SCHEMBL8804235

O=C(O)Oc1cn(-c2ccc(Cn3ccnn3)cc2)c2cc(N3CCN(c4ccc(F)cc4)CC3)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TOP1 P11387 3/20 0.41
THRB P10828 3/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8801932 0.96 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801266 0.95 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8804229 0.91 LMNA (0.64) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801869 0.89 LMNA (0.42) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8802753 0.88 MEN1 (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801930 0.87 LMNA (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801865 0.87 CYP19A1 (0.38) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801262 0.86 LMNA (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801373 0.85 PTGDR2 (0.42) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8802774 0.85 CYP3A4 (0.36) 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