SCHEMBL8942009

SCHEMBL8942009

CNC1CN(c2c(F)cc3cc4c(=O)c(C(=O)O)cn(NC)c4nc3c2F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
TOP1 P11387 2/20 0.38
PMP22 Q01453 1/20 0.38
DPP4 P27487 4/20 0.38
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
XBP1 P17861 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 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
SCHEMBL8942285 0.92 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL8941996 0.91 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL8941910 0.90 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL8942040 0.90 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL8942060 0.90 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL8941979 0.88 DPP4 (0.50) KDM4EALDH1A1HPGDHSD17B10DPP4
SCHEMBL8942023 0.87 LMNA (0.51) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL8942298 0.86 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL8942301 0.85 LMNA (0.43) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL8942326 0.85 TOP1 (0.37) KDM4EALDH1A1HPGDHSD17B10CYP2C9

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