SCHEMBL9044116

SCHEMBL9044116

CNC1CC=CC2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn(C5CC5)c4c3Cl)CC21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
OPRM1 P35372 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRD1 P41143 1/20 0.47
KDM4E B2RXH2 7/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 5/20 0.38
HSD17B10 Q99714 2/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9044987 0.93 KDM4E (0.39) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9047303 0.91 ALDH1A1 (0.39) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9046791 0.90 ALDH1A1 (0.43) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8083224 0.90 ALDH1A1 (0.59) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9046626 0.88 ALDH1A1 (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9692946 0.86 ALDH1A1 (0.49) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9046635 0.86 ALDH1A1 (0.49) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9692928 0.85 ALDH1A1 (0.48) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9047385 0.84 KDM4E (0.32) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9047410 0.84 ALDH1A1 (0.42) ALDH1A1POLBOPRM1CHRM2CHRM1

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