SCHEMBL9686860

SCHEMBL9686860

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KCNH2 Q12809 2/20 0.44
POLB P06746 1/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
OPRM1 P35372 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.40
DPP4 P27487 6/20 0.39
CHRM2 P08172 1/20 0.37
DRD1 P21728 1/20 0.37
ABCC4 O15439 1/20 0.35
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
BCL2A1 Q16548 2/20 0.34

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
SCHEMBL9687790 0.89 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9686854 0.88 KDM4E (0.54) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9686958 0.88 LMNA (0.41) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9687446 0.87 DPP4 (0.43) DPP4CHRM2DRD1
SCHEMBL9687780 0.84 DPP4 (0.40) KDM4EHSD17B10DPP4CHRM2DRD1
Hydrochloric Acid SCHEMBL9687485 0.83 DPP4 (0.40) KDM4EHSD17B10DPP4CHRM2DRD1
SCHEMBL9686531 0.82 LMNA (0.43) KDM4EHSD17B10ALDH1A1HPGDDPP4
SCHEMBL10508745 0.81 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9687428 0.81 DPP4 (0.52) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL10647454 0.80 ALDH1A1 (0.58) 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 3 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
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