SCHEMBL6217883

SCHEMBL6217883

CN1CCC2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)CC21.CN1CCC2CNCC21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 5/20 0.41
POLB P06746 2/20 0.41
OPRM1 P35372 2/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRD1 P41143 1/20 0.39
TOP2A P11388 3/20 0.37
TOP2B Q02880 3/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6210125 0.93 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6217878 0.90 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6211963 0.89 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9570701 0.89 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9411006 0.89 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9570711 0.88 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9411090 0.88 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9214162 0.86 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6216197 0.86 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10TOP2A
Hydrochloric Acid SCHEMBL6215429 0.85 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757990-B1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER HEALTHCARE AG (DE) 2005-03-30 EP disclosed
EP-0757990-A1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1997-02-12 EP disclosed
EP-0350733-A2 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1990-01-17 EP disclosed