SCHEMBL8942154

SCHEMBL8942154

O=C(O)c1cn(C2CC2)c2nc3cc(N4CC(N5CCNCC5)C4)c(F)cc3cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 6/20 0.58
LMNA P02545 5/20 0.58
HPGD P15428 5/20 0.58
HSD17B10 Q99714 5/20 0.58
CYP2C9 P11712 2/20 0.58
CYP1A2 P05177 1/20 0.58
TOP2A P11388 1/20 0.58
TOP2B Q02880 1/20 0.58
DPP4 P27487 6/20 0.46
MAPT P10636 1/20 0.45
ATP6V1B2 P21281 1/20 0.43
TBXA2R P21731 1/20 0.43
EDNRA P25101 1/20 0.43
TARBP2 Q15633 1/20 0.43
CHRM2 P08172 1/20 0.43
DRD1 P21728 1/20 0.43
BRD4 O60885 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL9526209 0.92 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDHSD17B10
Water SCHEMBL9775975 0.91 KDM4E (0.67) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8942177 0.89 LMNA (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8941906 0.86 LMNA (0.50) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8941879 0.86 LMNA (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8942218 0.86 ALDH1A1 (0.45) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8941976 0.86 ALDH1A1 (0.45) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8942340 0.86 DPP4 (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9775909 0.84 KCNH2 (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8941960 0.84 DPP4 (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10

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