SCHEMBL9775893

SCHEMBL9775893

CCOC(=O)c1cn(C2CC2)c2nc3c(F)c(N4CCNC(C)C4)c(F)cc3cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
HPGD P15428 5/20 0.51
ALDH1A1 P00352 5/20 0.51
KCNH2 Q12809 5/20 0.51
HSD17B10 Q99714 4/20 0.51
POLB P06746 2/20 0.51
OPRM1 P35372 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PMP22 Q01453 1/20 0.48
HRH3 Q9Y5N1 1/20 0.44
ADRB2 P07550 1/20 0.41
CYP2C19 P33261 1/20 0.39
DPP4 P27487 3/20 0.38
CHRM2 P08172 2/20 0.38
DRD1 P21728 1/20 0.38
CHRM1 P11229 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
SCHEMBL9775877 0.91 ADRB2 (0.43) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL9775878 0.90 KDM4E (0.51) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL9786129 0.89 DPP4 (0.44) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL9775887 0.89 ALDH1A1 (0.62) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL8941950 0.87 ADRB2 (0.44) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL9775934 0.86 KMT2A (0.46) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL6784057 0.85 KCNH2 (0.66) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL9786218 0.85 KDM4E (0.38) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL7230077 0.84 ADRB2 (0.50) KDM4EHPGDALDH1A1HSD17B10ADRB2
SCHEMBL9786219 0.79 KDM4E (0.41) KDM4EHPGDALDH1A1KCNH2HSD17B10

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