SCHEMBL9686854

SCHEMBL9686854

CC1CN(c2nc3c(cc2Cl)c(=O)c(C(=O)O)cn3C2CC2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
HSD17B10 Q99714 5/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
KCNH2 Q12809 3/20 0.54
POLB P06746 3/20 0.54
OPRM1 P35372 2/20 0.54
PRKD3 O94806 1/20 0.54
ALOX15 P16050 1/20 0.54
CLK2 P49760 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.51
DPP4 P27487 6/20 0.50
CHRM2 P08172 2/20 0.46
DRD1 P21728 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PMP22 Q01453 1/20 0.44
LMNA P02545 3/20 0.43

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
SCHEMBL9687753 0.89 KDM4E (0.63) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9686860 0.88 KDM4E (0.44) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9686951 0.87 KDM4E (0.54) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9687439 0.87 DPP4 (0.54) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9687767 0.83 DPP4 (0.51) KDM4EHSD17B10ALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL10551772 0.82 DPP4 (0.51) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL9686526 0.81 LMNA (0.56) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL8435331 0.80 ALDH1A1 (0.66) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9687424 0.80 DPP4 (0.66) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9775909 0.79 KCNH2 (0.56) KDM4EHSD17B10ALDH1A1HPGDKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP claimed
EP-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 EP disclosed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP disclosed