SCHEMBL5593563

SCHEMBL5593563

CCCCCCc1c(O)nc2ncnn2c1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 2/20 0.43
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ENPP1 P22413 4/20 0.35
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3318957 0.99 HTT (0.45) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL10493810 0.89 HSD17B10 (0.49) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL9770175 0.89 HSD17B10 (0.49) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL10493808 0.87 HSD17B10 (0.50) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL5232567 0.82 MAPT (0.44) HTTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9770335 0.75 HSD17B10 (0.56) HTTSMN1; SMN2HSD17B10L3MBTL1ALDH1A1
SCHEMBL5593524 0.74 GAA (0.47) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL8944077 0.74 GAA (0.47) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL8944187 0.74 GAA (0.47) HTTSMN1; SMN2GAAATMHSD17B10
SCHEMBL8944035 0.74 GAA (0.47) HTTSMN1; SMN2GAAATMHSD17B10

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-2007116011-A2 SUBSTITUTED TRIAZOLOPYRIMIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME BASF SE (DE) 2007-10-18 WO disclosed