SCHEMBL7691871

SCHEMBL7691871

OCCCNc1nc2cc3ccccc3cc2nc1NCCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
MAPK1 P28482 1/20 0.59
RAD52 P43351 3/20 0.51
POLB P06746 1/20 0.51
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PDE5A O76074 1/20 0.46
KCNH3 Q9ULD8 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MERTK Q12866 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7695556 0.89 KDM4E (0.75) KDM4EMAPK1RAD52POLBIKBKB
SCHEMBL9208673 0.81 SOD1 (0.56) KDM4EMAPK1RAD52POLBKMT2A
SCHEMBL12199181 0.75 KDM4E (1.00) KDM4EMAPK1RAD52POLBKMT2A
SCHEMBL9207716 0.74 RAD52 (0.44) KDM4EMAPK1RAD52POLBKMT2A
SCHEMBL7695822 0.74 KDM4E (0.50) KDM4EMAPK1POLBIKBKBCHUK
SCHEMBL7694581 0.71 SOD1 (0.74) KDM4EMAPK1POLBKMT2AMEN1
SCHEMBL4848300 0.70 POLB (0.54) KDM4EMAPK1RAD52POLBKMT2A
SCHEMBL7330423 0.69 KMT2A (0.67) KDM4EMAPK1RAD52POLBKMT2A
SCHEMBL28272261 0.69 KDM4E (0.66) KDM4EMAPK1RAD52POLBIKBKB
SCHEMBL7699335 0.68 ACP1 (0.55) KDM4EKMT2AMEN1MAPTHTT

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
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed