SCHEMBL5754890

SCHEMBL5754890

O=C(Nc1ccncc1)c1ccc(CCO)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
KMT2A Q03164 2/20 0.61
NT5E P21589 1/20 0.61
GAA P10253 1/20 0.61
JAK2 O60674 1/20 0.60
TYK2 P29597 1/20 0.60
POLB P06746 2/20 0.58
STAT3 P40763 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 1/20 0.55
ROCK2 O75116 3/20 0.54
ROCK1 Q13464 3/20 0.54
SCD O00767 1/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 1/20 0.53
NAMPT P43490 1/20 0.52
TRPV1 Q8NER1 1/20 0.52

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
SCHEMBL8866653 0.94 GAA (0.71) KDM4EL3MBTL1KMT2ANT5EGAA
SCHEMBL1553020 0.86 KDM4E (0.69) KDM4EL3MBTL1KMT2ANT5EGAA
SCHEMBL30192794 0.86 TRPV1 (0.70) KDM4EL3MBTL1KMT2ANT5EGAA
Hydrochloric Acid SCHEMBL1396788 0.84 KDM4E (0.67) KDM4EL3MBTL1KMT2ANT5EGAA
SCHEMBL14716526 0.84 KDM4E (1.00) KDM4EL3MBTL1KMT2ANT5EGAA
SCHEMBL3687154 0.83 KDM4E (0.65) KDM4EL3MBTL1KMT2ANT5EGAA
SCHEMBL31610762 0.83 TRPV1 (0.74) KDM4EL3MBTL1KMT2ANT5ESTAT3
SCHEMBL12228179 0.82 KDM4E (0.73) KDM4EL3MBTL1KMT2ANT5EGAA
SCHEMBL12299591 0.82 KDM4E (0.73) KDM4EL3MBTL1KMT2ANT5EGAA
SCHEMBL1438598 0.82 KDM4E (0.73) KDM4EL3MBTL1KMT2ANT5EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO disclosed