SCHEMBL8942019

SCHEMBL8942019

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(N)(c5ccccc5)C4)c(F)c3nc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TOP2A P11388 9/20 0.34
TOP2B Q02880 9/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
ATP6V1B2 P21281 1/20 0.33
TBXA2R P21731 1/20 0.33
EDNRA P25101 1/20 0.33
TARBP2 Q15633 1/20 0.33
EPHA2 P29317 1/20 0.33
FLT4 P35916 1/20 0.33
GSK3B P49841 1/20 0.33
RARB P10826 1/20 0.33
TBXAS1 P24557 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL8942189 0.89 HPGD (0.38) DPP4HPGDHSD17B10KDM4ETOP2A
SCHEMBL8942056 0.89 KDM4E (0.37) DPP4HPGDHSD17B10KDM4ETOP2A
SCHEMBL8942036 0.87 LMNA (0.48) HPGDHSD17B10KDM4ELMNACYP2C9
SCHEMBL8941988 0.87 DPP4 (0.36) DPP4HPGDHSD17B10KDM4ETOP2A
SCHEMBL8941888 0.85 DPP4 (0.53) DPP4HPGDHSD17B10KDM4ETOP2A
SCHEMBL8942054 0.85 KDM4E (0.46) DPP4HPGDHSD17B10KDM4ETOP2A
SCHEMBL8942182 0.84 EPHA2 (0.37) DPP4HPGDHSD17B10KDM4ETOP2A
SCHEMBL9776101 0.81 LMNA (0.50) HPGDHSD17B10KDM4ETOP2ATOP2B
SCHEMBL8942144 0.78 KDM4E (0.36) DPP4HPGDHSD17B10KDM4ETOP2A
SCHEMBL8942305 0.78 KDM4E (0.38) DPP4HPGDHSD17B10KDM4EKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed