SCHEMBL8801865

SCHEMBL8801865

O=C(O)Oc1cn(-c2ccc(Cn3ccnn3)cc2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK8 P45983 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM2 Q14416 1/20 0.34
CAPN1 P07384 1/20 0.34
TOP1 P11387 3/20 0.34
KLKB1 P03952 1/20 0.32

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
SCHEMBL8801859 0.88 LMNA (0.46) CYP19A1IDO1TDO2LMNAMEN1
SCHEMBL8801932 0.87 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8803908 0.87 ALDH1A1 (0.40) CYP19A1IDO1TDO2KDM4EALDH1A1
SCHEMBL8804235 0.87 LMNA (0.51) IDO1TDO2LMNAMEN1KMT2A
SCHEMBL8801266 0.87 LMNA (0.46) IDO1TDO2LMNAMEN1KMT2A
SCHEMBL8802521 0.87 GRM2 (0.34) CYP19A1IDO1TDO2LMNAMEN1
SCHEMBL8804845 0.87 PDE4A (0.34) CYP19A1IDO1TDO2LMNAMEN1
SCHEMBL8801570 0.86 PIM1 (0.37) CYP19A1IDO1TDO2MAPK8KDM4E
SCHEMBL8801295 0.83 CYP11B1 (0.43) CYP19A1LMNAMEN1KMT2A
SCHEMBL8801661 0.81 LMNA (0.41) 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