SCHEMBL14397153

SCHEMBL14397153

COc1ccc(Cn2nc(NC(=O)c3cc(NC(=O)c4cc(N)nn4Cc4ccc(OC)cc4)nn3Cc3ccc(OC)cc3)cc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PTGER4 P35408 3/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41

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
SCHEMBL13387689 0.92 MAPT (0.44) MAPTPOLBALOX15L3MBTL1ALDH1A1
SCHEMBL13387618 0.84 MAPT (0.47) MAPTPOLBALDH1A1HSD17B10KDM4E
SCHEMBL1577128 0.81 MAPT (0.51) MAPTPOLBALOX15L3MBTL1ALDH1A1
SCHEMBL22489117 0.80 NPC1 (0.50) MAPTPOLBALOX15ALDH1A1HSD17B10
SCHEMBL1576775 0.79 FPR2 (0.44) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL25314890 0.76 ALDH1A1 (0.45) MAPTPOLBALOX15L3MBTL1ALDH1A1
SCHEMBL29524269 0.76 ALDH1A1 (0.45) MAPTPOLBALOX15L3MBTL1ALDH1A1
SCHEMBL13387757 0.76 MAPT (0.47) MAPTPOLBALDH1A1HSD17B10KDM4E
SCHEMBL14119926 0.75 MAPT (0.50) MAPTPOLBL3MBTL1ALDH1A1KDM4E
SCHEMBL10150650 0.75 MAPT (0.53) MAPTALOX15ALDH1A1KDM4EMEN1

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
WO-2007112922-A1 TRIMERIC, WATER-SOLUBLE AMINOPYRAZOLE COMPOUNDS HAVING AN EFFECT AGAINST NEURODEGENERATIVE DISEASES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2007-10-11 WO disclosed