SCHEMBL6473728

SCHEMBL6473728

COc1ccc(Oc2cnc(N)nc2Nc2ccc(O)cc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
TNIK Q9UKE5 4/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
TSHR P16473 4/20 0.47
LMNA P02545 4/20 0.47
CASP1 P29466 3/20 0.47
CASP7 P55210 3/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44

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
SCHEMBL5202344 0.90 SCN9A (0.47) MAPTTNIKKMT2AMEN1TSHR
SCHEMBL6473796 0.90 MAPT (0.51) MAPTTNIKKMT2AMEN1TSHR
SCHEMBL6480001 0.86 MAPT (0.49) MAPTTNIKKMT2AMEN1TSHR
SCHEMBL6480285 0.82 AURKA (0.53) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL6474559 0.81 GAA (0.43) MAPTTNIKKMT2AMEN1LMNA
SCHEMBL5204470 0.79 MEN1 (0.42) MAPTTNIKKMT2AMEN1TSHR
SCHEMBL6481407 0.75 AURKA (0.47) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL6474359 0.75 MEN1 (0.43) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL11555581 0.71 GAA (0.61) MAPTTNIKKMT2AMEN1LMNA
SCHEMBL6472908 0.71 TTBK1 (0.43) MAPTKMT2AMEN1TSHRLMNA

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