SCHEMBL27766331

SCHEMBL27766331

CCCCC(=O)Oc1nc(-c2ccccc2)no1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
HPGD P15428 1/20 0.43
FFAR1 O14842 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL4083201 0.78 NR1H4 (0.52) MEN1KMT2AALDH1A1GAA
SCHEMBL6328328 0.78 LMNA (0.55) KMT2AALDH1A1HPGDHDAC1HDAC2
SCHEMBL27766332 0.77 KMT2A (0.45) KMT2AALDH1A1GAAADORA3ADORA1
SCHEMBL27792725 0.76 NR1H4 (0.49) MEN1KMT2AALDH1A1GAAHDAC1
SCHEMBL16236486 0.75 KDM4E (0.66) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL27341191 0.73 ACACB (0.51) KDM4EMEN1KMT2ABCHEACHE
SCHEMBL6635027 0.72 HPGD (0.54) ALDH1A1HPGD
SCHEMBL16756230 0.71 KDM4E (0.75) KDM4EMEN1RECQLKMT2A
SCHEMBL6836201 0.71 KMT2A (0.56) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL563342 0.71 ALDH1A1 (0.73) ALDH1A1GAAHPGDHDAC1HDAC2

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
CN-101466714-A Purinone derivatives as HM74A agonists INCYTE CORP (US) 2009-06-24 CN disclosed