SCHEMBL8942266

SCHEMBL8942266

NCCc1ccc(NC2CN(c3c(F)cc4cc5c(=O)c(C(=O)O)cn(CCF)c5nc4c3F)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TOP1 P11387 9/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 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
DPP4 P27487 2/20 0.36
PMP22 Q01453 1/20 0.36
ENPP2 Q13822 2/20 0.35

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
SCHEMBL8942091 0.92 KDM4E (0.38) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL8942326 0.89 TOP1 (0.37) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL8942012 0.89 DPP4 (0.46) KDM4EALDH1A1HSD17B10LMNADPP4
SCHEMBL8941970 0.85 TOP1 (0.42) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL8942180 0.85 KDM4E (0.47) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL8942298 0.85 KDM4E (0.50) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL8942053 0.84 KDM4E (0.47) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL8941975 0.83 KDM4E (0.46) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL8942239 0.79 ENPP2 (0.45) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL8942023 0.77 LMNA (0.51) KDM4ETOP1ALDH1A1HPGDHSD17B10

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