SCHEMBL9694740

SCHEMBL9694740

CNC1C=C(C)CC2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)CC21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 6/20 0.41
TOP2A P11388 5/20 0.41
TOP2B Q02880 5/20 0.41
POLB P06746 2/20 0.40
OPRM1 P35372 2/20 0.40
LMNA P02545 1/20 0.40
PRKD3 O94806 1/20 0.40
ALOX15 P16050 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL9694361 0.93 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9136827 0.90 TOP2A (0.51) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9694116 0.86 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9667790 0.84 KCNH2 (0.45) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9136314 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9692883 0.82 KCNH2 (0.41) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL7851285 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9667931 0.80 KCNH2 (0.49) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9692946 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9667824 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10MEN1

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