SCHEMBL6474559

SCHEMBL6474559

Cc1cc(O)ccc1Nc1nc(N)ncc1Oc1ccc(Cl)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
RUNX1 Q01196 1/20 0.43
CBFB Q13951 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5202344 0.88 SCN9A (0.47) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL6474741 0.87 SCN5A (0.42) MAPTSLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL6480001 0.82 MAPT (0.49) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL6473796 0.81 MAPT (0.51) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL6473728 0.81 MAPT (0.50) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL5207953 0.77 SLC6A2 (0.44) ALDH1A1SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL5204470 0.77 MEN1 (0.42) ALDH1A1MAPTLMNACASP1CASP7
SCHEMBL6482628 0.76 BCL6 (0.44) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL3250337 0.74 ALDH1A1 (0.43) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL1376410 0.74 MERTK (0.39) LMNAHPGDSMN1; SMN2SLC6A2SLC6A4

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