SCHEMBL6480001

SCHEMBL6480001

COc1ccccc1Oc1cnc(N)nc1Nc1ccc(O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 2/20 0.49
ALOX15 P16050 1/20 0.49
RUNX1 Q01196 1/20 0.49
CBFB Q13951 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
AURKA O14965 1/20 0.39
KDR P35968 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL6473796 0.87 MAPT (0.51) MAPTCASP1CASP7ALDH1A1LMNA
SCHEMBL6473728 0.86 MAPT (0.50) MAPTCASP1CASP7ALDH1A1LMNA
SCHEMBL6474559 0.82 GAA (0.43) MAPTCASP1CASP7ALDH1A1LMNA
SCHEMBL5202344 0.80 SCN9A (0.47) MAPTCASP1CASP7ALDH1A1LMNA
SCHEMBL6474012 0.69 BCL6 (0.52) MAPTCASP1CASP7ALDH1A1LMNA
SCHEMBL31069736 0.69 MAPT (0.81) MAPTCASP1CASP7ALDH1A1LMNA
SCHEMBL13195727 0.69 TLR7 (0.57)
SCHEMBL5207250 0.69 EGFR (0.45) MAPTCASP1CASP7ALDH1A1LMNA
SCHEMBL5207244 0.69 EGFR (0.45) MAPTCASP1CASP7ALDH1A1LMNA
SCHEMBL5204470 0.69 MEN1 (0.42) MAPTCASP1CASP7ALDH1A1LMNA

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
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US claimed