SCHEMBL6473796

SCHEMBL6473796

Cc1cc(O)ccc1Nc1nc(N)ncc1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
CASP1 P29466 3/20 0.51
CASP7 P55210 3/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 1/20 0.51
RUNX1 Q01196 1/20 0.51
CBFB Q13951 1/20 0.51
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TNIK Q9UKE5 5/20 0.42
HPGD P15428 2/20 0.40
KMT2A Q03164 5/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 4/20 0.39
ADORA1 P30542 2/20 0.38

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
SCHEMBL6473728 0.90 MAPT (0.50) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL5202344 0.89 SCN9A (0.47) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL6480001 0.87 MAPT (0.49) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL6474559 0.81 GAA (0.43) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL6474471 0.81 BCL6 (0.49) MAPTALDH1A1GAALMNATSHR
SCHEMBL5204470 0.77 MEN1 (0.42) MAPTALDH1A1CASP1CASP7LMNA
SCHEMBL6481407 0.74 AURKA (0.47) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL6474359 0.73 MEN1 (0.43) MAPTALDH1A1CASP1CASP7LMNA
SCHEMBL6480285 0.71 AURKA (0.53) MAPTALDH1A1CASP1CASP7LMNA
SCHEMBL6472908 0.69 TTBK1 (0.43) MAPTKDM4EALDH1A1CASP1CASP7

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