SCHEMBL5254702

SCHEMBL5254702

COc1cccc(CNC(=O)c2nc(C3CCN(C(=O)O)C(Cc4ccccc4)C3)nc(O)c2O)c1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
MAOB P27338 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAPT P10636 3/20 0.38
NAMPT P43490 1/20 0.38
POLB P06746 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL5253647 0.84 MEN1 (0.40) LMNATP53KDM4EALDH1A1MAPK1
SCHEMBL5115186 0.82 HTT (0.42) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL5117654 0.80 MAOB (0.48) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL5120917 0.79 PDE4B (0.41) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL5127647 0.78 LMNA (0.42) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL5128066 0.78 MAOB (0.46) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL5128204 0.78 ALDH1A1 (0.45) LMNATP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL5130113 0.77 ALDH1A1 (0.41) LMNATP53KDM4EALDH1A1TSHR
SCHEMBL5130127 0.77 TP53 (0.43) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL14500129 0.76 TP53 (0.44) LMNATP53KDM4EALDH1A1HPGD

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
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP disclosed