SCHEMBL5749796

SCHEMBL5749796

NCCCCc1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
NT5E P21589 1/20 0.55
KMT2A Q03164 1/20 0.55
TRPV1 Q8NER1 6/20 0.54
HRH1 P35367 2/20 0.54
GAA P10253 1/20 0.54
JAK2 O60674 1/20 0.54
TYK2 P29597 1/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.54
STAT3 P40763 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.50

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
SCHEMBL5751597 0.99 KDM4E (0.61) KDM4EL3MBTL1NT5EKMT2ATRPV1
SCHEMBL3687154 0.96 KDM4E (0.65) KDM4EL3MBTL1NT5EKMT2ATRPV1
SCHEMBL1553020 0.90 KDM4E (0.69) KDM4EL3MBTL1NT5EKMT2ATRPV1
Hydrochloric Acid SCHEMBL1396788 0.88 KDM4E (0.67) KDM4EL3MBTL1NT5EKMT2ATRPV1
SCHEMBL31610762 0.84 TRPV1 (0.74) KDM4EL3MBTL1NT5EKMT2ATRPV1
SCHEMBL23291297 0.84 GAA (0.69) KDM4EL3MBTL1NT5EKMT2AGAA
SCHEMBL1438598 0.83 KDM4E (0.73) KDM4EL3MBTL1NT5EKMT2AGAA
SCHEMBL24670336 0.82 TRPV1 (0.57) KDM4EKMT2ATRPV1POLBSMN1; SMN2
SCHEMBL5754890 0.82 KDM4E (0.71) KDM4EL3MBTL1NT5EKMT2ATRPV1
Hydrochloric Acid SCHEMBL5462828 0.82 KDM4E (0.71) KDM4EL3MBTL1NT5EKMT2AGAA

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 claimed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO claimed