SCHEMBL9687790

SCHEMBL9687790

CC1CN(c2nc3c(cc2F)c(=O)c(OC(=O)O)cn3C2CC2)CCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
HSD17B10 Q99714 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
KCNH2 Q12809 2/20 0.51
POLB P06746 1/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
OPRM1 P35372 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
DPP4 P27487 6/20 0.48
CHRM2 P08172 1/20 0.47
DRD1 P21728 1/20 0.47
LMNA P02545 3/20 0.45
ABCC4 O15439 1/20 0.45
CYP2C9 P11712 2/20 0.44
ATP6V1B2 P21281 1/20 0.44
TBXA2R P21731 1/20 0.44

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
SCHEMBL9687428 0.90 DPP4 (0.52) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9686860 0.89 KDM4E (0.44) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9687753 0.88 KDM4E (0.63) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9687448 0.88 LMNA (0.55) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9686444 0.87 DPP4 (0.54) KDM4EHSD17B10ALDH1A1HPGDKCNH2
SCHEMBL9685621 0.87 DPP4 (0.55) KDM4EHSD17B10ALDH1A1HPGDKCNH2
Hydrochloric Acid SCHEMBL10915017 0.85 DPP4 (0.48) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL10377709 0.85 DPP4 (0.51) KDM4EHSD17B10ALDH1A1HPGDDPP4
SCHEMBL9838906 0.84 KMT2A (0.56) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL10745216 0.84 DPP4 (0.49) KDM4EHSD17B10ALDH1A1KCNH2POLB

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-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 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