SCHEMBL16612864

SCHEMBL16612864

Nc1cnn(CCOc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC1 Q13547 1/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MITF O75030 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TBXAS1 P24557 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KCNA3 P22001 1/20 0.42
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40

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
SCHEMBL16612776 0.84 MAPT (0.55) MEN1KMT2APKMALDH1A1L3MBTL1
SCHEMBL16612830 0.83 MEN1 (0.47) MEN1KMT2APKMALDH1A1L3MBTL1
SCHEMBL12479353 0.83 MEN1 (0.64) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL20420208 0.81 TBXAS1 (0.46) PKMALDH1A1MAPTRAB9ANPC1
SCHEMBL12497632 0.77 HDAC2 (0.50) MEN1KMT2APKMALDH1A1L3MBTL1
SCHEMBL16613040 0.77 HCRTR1 (0.45) MEN1KMT2APKMALDH1A1L3MBTL1
SCHEMBL21932615 0.76 HDAC2 (0.49) MEN1KMT2APKMALDH1A1L3MBTL1
SCHEMBL12479912 0.76 HCRTR1 (0.45) MEN1KMT2APKMALDH1A1L3MBTL1
SCHEMBL21932616 0.75 HDAC2 (0.48) MEN1KMT2APKMALDH1A1L3MBTL1
SCHEMBL12479169 0.75 ALDH1A1 (0.47) MEN1KMT2APKMALDH1A1L3MBTL1

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-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP disclosed