SCHEMBL8942175

SCHEMBL8942175

CN(C)C1C(N)CN1c1c(F)cc2cc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3nc2c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.36
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
EPHA2 P29317 1/20 0.34
FLT4 P35916 1/20 0.34
GSK3B P49841 1/20 0.34
RARB P10826 1/20 0.34
TBXAS1 P24557 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
XBP1 P17861 1/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 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
SCHEMBL8942118 0.89 DPP4 (0.38) DPP4CYP2C9CYP3A4EPHA2FLT4
SCHEMBL8941962 0.87 DPP4 (0.36) DPP4CYP2C9CYP3A4EPHA2FLT4
SCHEMBL8942191 0.87 LMNA (0.46) DPP4CYP2C9EPHA2FLT4GSK3B
SCHEMBL8942139 0.86 KDM4E (0.43) DPP4CYP2C9CYP3A4EPHA2FLT4
SCHEMBL8942086 0.84 EPHA2 (0.38) DPP4CYP2C9CYP3A4EPHA2FLT4
SCHEMBL8942056 0.78 KDM4E (0.37) DPP4CYP2C9CYP3A4EPHA2FLT4
SCHEMBL8942144 0.78 KDM4E (0.36) DPP4CYP2C9CYP3A4EPHA2FLT4
SCHEMBL8942305 0.78 KDM4E (0.38) DPP4CYP2C9CYP3A4EPHA2FLT4
SCHEMBL9776101 0.77 LMNA (0.50) CYP2C9ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8942324 0.76 LMNA (0.43) DPP4CYP2C9CYP3A4ALDH1A1KDM4E

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