SCHEMBL6437866

SCHEMBL6437866

FC(F)(F)c1ccc(N2C[CH]CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ MAPT P10636 5/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ GRM2 Q14416 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
SCHEMBL13519052 0.91 KDM4E (0.51) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL1646635 0.90 KDM4E (0.57) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL30776193 0.86 MAPT (0.51) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL23207522 0.80 KDM4E (0.62) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL30582921 0.78 KDM4E (0.60) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL16238574 0.78 KDM4E (0.60) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL886818 0.77 KDM4E (0.57) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL17035908 0.75 ADRB1 (0.60) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL231823 0.75 ADRB1 (0.60) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL30101389 0.75 ADRB1 (0.60) KDM4ELMNAABL1MAPTSMN1; SMN2

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-1572237-A1 COMBINATIONS OF VANILLOID ANTAGONIST AND NSAID FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2005-09-14 — — EP claimed
WO-2004056394-A1 COMBINATIONS OF A VANILLOID ANTAGONIST AND AN NSAID FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-07-08 — — WO claimed
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