SCHEMBL9692883

SCHEMBL9692883

CNC1C=CC(C(C)C)C2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)CC12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 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
L3MBTL1 Q9Y468 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

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
SCHEMBL9694842 0.93 ALDH1A1 (0.47) KCNH2KDM4EALDH1A1HPGDLMNA
SCHEMBL9139669 0.89 KCNH2 (0.52) KCNH2KDM4EALDH1A1HPGDLMNA
SCHEMBL9694730 0.89 KCNH2 (0.44) KCNH2KDM4EALDH1A1HPGDLMNA
SCHEMBL9694116 0.85 KDM4E (0.43) KCNH2KDM4EALDH1A1HPGDLMNA
SCHEMBL9667790 0.84 KCNH2 (0.45) KCNH2KDM4EALDH1A1HPGDLMNA
SCHEMBL8137985 0.83 ALDH1A1 (0.48) KCNH2KDM4EALDH1A1HPGDLMNA
SCHEMBL9136147 0.82 ALDH1A1 (0.59) KCNH2KDM4EALDH1A1HPGDLMNA
SCHEMBL9670578 0.82 KCNH2 (0.47) KCNH2KDM4EALDH1A1HPGDLMNA
SCHEMBL9694740 0.82 ALDH1A1 (0.42) KCNH2KDM4EALDH1A1HPGDLMNA
SCHEMBL9667931 0.81 KCNH2 (0.49) KCNH2KDM4EALDH1A1HPGDLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520240-A1 7-Isoindolinyl-quinolone and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP disclosed