SCHEMBL6015600

SCHEMBL6015600

CNc1nc(N)c2c(C)c(C)oc2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 2/20 0.34
IDO1 P14902 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 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) POLBALDH1A1GAAABL1RIN1
SCHEMBL6015562 0.74 ALDH1A1 (0.40) POLBALDH1A1GAAABL1RIN1
SCHEMBL1621745 0.71 ALDH1A1 (0.50) POLBALDH1A1GAAABL1RIN1
SCHEMBL6015575 0.71 ALDH1A1 (0.39) POLBALDH1A1GAAABL1RIN1
SCHEMBL2773009 0.71 NOS1 (0.36) POLBALDH1A1GAATDP1HPGD
SCHEMBL2372149 0.66 LMNA (0.34) IDO1KMT2A
SCHEMBL13757223 0.66 IDO1 (0.50) POLBALDH1A1GAAABL1RIN1
SCHEMBL6015570 0.66 ABCB1 (0.57) GAASMN1; SMN2L3MBTL1
SCHEMBL5471444 0.59 IDO1 (0.37) IDO1
SCHEMBL2745624 0.59 TLR8 (0.33)

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