SCHEMBL16631916

SCHEMBL16631916

CCc1cn2c(C)cc(=O)[nH]c2nc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.36
TP53 P04637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
PDE2A O00408 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC11A2 P49281 1/20 0.33
HTT P42858 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
SCHEMBL18081975 0.83 ALDH1A1 (0.45) KDM4EALDH1A1GAASMN1; SMN2TP53
SCHEMBL18080556 0.77 KDM4E (0.40) KDM4EALDH1A1GAASMN1; SMN2TP53
SCHEMBL16631923 0.74 ALDH1A1 (0.42) KDM4EALDH1A1GAASMN1; SMN2TP53
SCHEMBL16631749 0.73 HTT (0.33) HTTKDM5B
SCHEMBL16631920 0.70 CRBN (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18080560 0.69 ALDH1A1 (0.38) KDM4EALDH1A1GAASMN1; SMN2TP53
SCHEMBL15107929 0.61 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2LMNACYP1A2POLB
SCHEMBL18080557 0.61 CHEK1 (0.33) PDE2A
SCHEMBL16631750 0.61 HTT (0.33) KDM4EALDH1A1HTTHPGDKDM5B
SCHEMBL24378545 0.60 GAA (0.47) KDM4EALDH1A1GAARAB9ACYP1A2

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed