SCHEMBL6015575

SCHEMBL6015575

COc1nc(N)c2c(C)c(C)oc2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 2/20 0.34
IDO1 P14902 3/20 0.33

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
SCHEMBL6015561 0.77 ALDH1A1 (0.42) ALDH1A1POLBHPGDGAAABL1
SCHEMBL6015562 0.74 ALDH1A1 (0.40) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL6015600 0.71 POLB (0.41) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL1621745 0.71 ALDH1A1 (0.50) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL22644428 0.66 ALDH1A1 (0.37) ALDH1A1HPGDGAAIDO1
SCHEMBL13757223 0.66 IDO1 (0.50) ALDH1A1POLBHPGDGAAABL1
SCHEMBL10604745 0.65 CCNA2 (0.34)
SCHEMBL1622881 0.64 ABCB1 (0.56) SMN1; SMN2L3MBTL1GAA
SCHEMBL10447738 0.62 ALDH1A1 (0.37) ALDH1A1L3MBTL1
SCHEMBL3187771 0.61 MEN1 (0.31) POLBMEN1KMT2AGAA

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
WO-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed