SCHEMBL9775878

SCHEMBL9775878

CCOC(=O)c1cn(C)c2nc3c(F)c(N4CCNC(C)C4)c(F)cc3cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
HPGD P15428 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 5/20 0.51
PMP22 Q01453 1/20 0.50
KCNH2 Q12809 2/20 0.42
POLB P06746 1/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.37
STAT3 P40763 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL9775893 0.90 KDM4E (0.51) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9775898 0.89 LMNA (0.44) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9786219 0.89 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9786120 0.89 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9786170 0.89 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9786165 0.89 KDM4E (0.40) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9775962 0.88 KDM4E (0.60) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9786177 0.87 GSK3B (0.39) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9786128 0.86 KDM4E (0.40) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9786160 0.86 KDM4E (0.39) KDM4EHPGDALDH1A1HSD17B10PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed
US-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed