SCHEMBL7489453

SCHEMBL7489453

N#CCCN1CCC[C@H]2CN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3C#N)C[C@H]21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.50
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 4/20 0.46
OPRM1 P35372 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
OPRD1 P41143 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
LMNA P02545 3/20 0.42
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41

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
SCHEMBL7491637 0.91 KDM4E (0.48) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9570913 0.91 ALDH1A1 (0.58) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7500060 0.89 ALDH1A1 (0.49) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7495795 0.88 KDM4E (0.47) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7491629 0.84 KDM4E (0.45) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6217062 0.83 ALDH1A1 (0.53) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7978646 0.81 KCNH2 (0.51) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7962322 0.81 KCNH2 (0.51) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7978642 0.81 KCNH2 (0.51) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9570914 0.81 ALDH1A1 (0.46) KCNH2KDM4EALDH1A1HPGDHSD17B10

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-0882049-B1 POSSIBLY SUBSTITUTED 8-CYANO-1-CYCLOPROPYL-7-(2,8-DIAZABICYCLO- 4.3.0]-NONAN-8-YL)-6-FLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLIN CARBOXYLIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 2002-11-20 EP disclosed
EP-1215202-A1 Intermediates for the preparation of possibly substituted 8-cyano-1-cyclopropyl-7-(2,8-diazabicyclo-(4.3.0)-nonan-8-yl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolin carboxylic acids and their derivatives BAYER AG (DE) 2002-06-19 EP disclosed
US-6323213-B1 ANTIBIOTICS, BACTERICIDES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2001-11-27 US disclosed