SCHEMBL9044987

SCHEMBL9044987

CNC1CC=CC2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)CC21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 1/20 0.39
KCNH2 Q12809 5/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
OPRM1 P35372 2/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRD1 P41143 1/20 0.38
TOP2A P11388 5/20 0.38
TOP2B Q02880 5/20 0.38

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
SCHEMBL9044116 0.93 ALDH1A1 (0.47) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL9047385 0.91 KDM4E (0.32) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL9048740 0.89 ADRB2 (0.40) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL8089691 0.89 TOP2A (0.49) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL9045603 0.89 ALDH1A1 (0.42) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL9044970 0.87 KCNH2 (0.40) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL9044765 0.86 KCNH2 (0.45) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL9694116 0.85 KDM4E (0.43) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL9045412 0.85 KDM4E (0.45) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL8203931 0.84 LMNA (0.35) KDM4EALDH1A1HPGDLMNAKCNH2

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