SCHEMBL7017409

SCHEMBL7017409

O=C(NCc1ccccc1)Oc1ccc2cccnc2n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.53
NCEH1 Q6PIU2 1/20 0.51
SUCNR1 Q9BXA5 2/20 0.50
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK8 P45983 1/20 0.44
EPHX1 P07099 2/20 0.44
NSD2 O96028 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ADORA2A P29274 1/20 0.43
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL7021606 0.89 EPHX1 (0.52) MAPTLMNAKMT2AEPHX1ALDH1A1
SCHEMBL7018465 0.87 EGLN1 (0.59) EGLN1SUCNR1MAPTKDM4EMEN1
SCHEMBL7016726 0.86 SMN1; SMN2 (0.52) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL7019353 0.84 MAPT (0.57) EGLN1SUCNR1MAPTLMNAKMT2A
SCHEMBL7018848 0.83 LMNA (0.48) SUCNR1KDM4EMEN1LMNAKMT2A
SCHEMBL7015908 0.83 MAPK8 (0.47) MAPTKDM4EMEN1KMT2AMAPK8
SCHEMBL4303922 0.82 NCEH1 (0.54) EGLN1NCEH1MEN1KMT2A
SCHEMBL7012647 0.82 EGLN1 (0.44) EGLN1SUCNR1MAPTKDM4EMEN1
SCHEMBL7011724 0.81 MEN1 (0.51) KDM4EMEN1LMNAKMT2AALDH1A1
SCHEMBL7020816 0.80 HSP90AA1 (0.63) EGLN1MAPTKDM4EMEN1LMNA

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
EP-1155017-B1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIRE BIOCHEM INC (CA) 2003-01-15 EP claimed