SCHEMBL6510394

SCHEMBL6510394

COc1ccc(Sc2cc(Cl)nc(Cl)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HAO1 Q9UJM8 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 1/20 0.45
IDO1 P14902 1/20 0.43
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
PTGIR P43119 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL7662525 0.77 HAO1 (0.46) MAPTMEN1KMT2AHAO1SMN1; SMN2
SCHEMBL4743804 0.77 HPGD (0.53) MAPTHAO1SMN1; SMN2IDO1PTGIR
SCHEMBL1621722 0.75 HAO1 (0.47) MAPTMEN1KMT2AHAO1SMN1; SMN2
SCHEMBL482369 0.74 CA1 (0.65) MAPTMEN1KMT2AHAO1GAA
SCHEMBL30390610 0.73 MAPT (0.50) MAPTMEN1KMT2AHAO1SMN1; SMN2
Hydrochloric Acid SCHEMBL11848856 0.72 CA1 (0.61) MAPTMEN1KMT2AHAO1GAA
SCHEMBL3451541 0.71 KDM4E (0.67) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7763044 0.70 CYP2A6 (0.60) MEN1KMT2APOLBPTGIRKDM4E
SCHEMBL829981 0.70 AURKA (0.48) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6514826 0.69 ALDH1A1 (0.49) MAPTSMN1; SMN2LMNAHSP90AB1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed