SCHEMBL8941910

SCHEMBL8941910

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.40
HPGD P15428 7/20 0.39
HSD17B10 Q99714 7/20 0.39
ALDH1A1 P00352 7/20 0.39
TOP1 P11387 2/20 0.38
PMP22 Q01453 1/20 0.38
DPP4 P27487 2/20 0.38
KCNH2 Q12809 1/20 0.37
ALB P02768 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ADRA2B P18089 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
SCHEMBL8942075 0.91 KDM4E (0.39) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL8942201 0.90 KDM4E (0.41) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL8942009 0.90 KDM4E (0.38) KDM4EHPGDHSD17B10ALDH1A1TOP1
SCHEMBL8942298 0.89 KDM4E (0.50) KDM4EHPGDHSD17B10ALDH1A1TOP1
SCHEMBL8941979 0.89 DPP4 (0.50) KDM4EHPGDHSD17B10ALDH1A1DPP4
SCHEMBL8942076 0.88 KDM4E (0.41) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL8942023 0.88 LMNA (0.51) KDM4EHPGDHSD17B10ALDH1A1TOP1
SCHEMBL9527325 0.84 KDM4E (0.57) KDM4EHPGDHSD17B10ALDH1A1TOP1
SCHEMBL9786232 0.83 KDM4E (0.48) KDM4EHPGDHSD17B10ALDH1A1TOP1
SCHEMBL8942091 0.83 KDM4E (0.38) KDM4EHPGDHSD17B10ALDH1A1TOP1

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