SCHEMBL4033193

SCHEMBL4033193

c1ccc(-c2ncoc2-c2cccc3cccnc23)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
CCR1 P32246 4/20 0.42
CCR5 P51681 4/20 0.42
CCR8 P51685 4/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
HSP90AA1 P07900 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
MMP2 P08253 2/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
GMNN O75496 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MMP9 P14780 1/20 0.42
NFKB1 P19838 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
SCHEMBL4032702 0.86 TGFBR1 (0.46) KDM4ECCR1CCR5CCR8TP53
SCHEMBL16512102 0.78 KDM4E (0.58) KDM4ECCR1CCR5CCR8TP53
SCHEMBL4034948 0.77 TGFBR1 (0.45) KDM4ECCR1CCR5CCR8TP53
SCHEMBL12853981 0.74 LMNA (0.68) KDM4ECCR1CCR5CCR8TP53
SCHEMBL4029533 0.72 NPC1 (0.53) KDM4ETP53SMN1; SMN2LMNAHSP90AA1
Phenanthroline SCHEMBL226209 0.72 KDM4E (0.73) KDM4ECCR1CCR5CCR8TP53
SCHEMBL12854080 0.71 MMP2 (0.58) KDM4ECCR1CCR5CCR8TP53
SCHEMBL30515654 0.70 CCR1 (0.62) KDM4ECCR1CCR5CCR8TP53
SCHEMBL2922581 0.70 CCR1 (0.62) KDM4ECCR1CCR5CCR8TP53
SCHEMBL1282008 0.70 CCR1 (0.75) KDM4ECCR1CCR5CCR8TP53

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-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP claimed