SCHEMBL9047385

SCHEMBL9047385

CNC1CC=CC2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn(C5CC5F)c4c3F)CC21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.32
ALDH1A1 P00352 7/20 0.32
HPGD P15428 6/20 0.32
HSD17B10 Q99714 5/20 0.32
PMP22 Q01453 1/20 0.32
TOP1 P11387 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 2/20 0.31
OPRM1 P35372 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
OPRD1 P41143 1/20 0.31
KCNH2 Q12809 2/20 0.30
PRKD3 O94806 1/20 0.30
ALOX15 P16050 1/20 0.30
CLK2 P49760 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9047303 0.93 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTOP1LMNA
SCHEMBL9044987 0.91 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9043731 0.90 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8091231 0.90 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL9045026 0.86 KCNH2 (0.35) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9044116 0.84 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL8203931 0.83 LMNA (0.35) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL8083017 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL9048740 0.80 ADRB2 (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8091409 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10PMP22

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-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed