SCHEMBL5766067

SCHEMBL5766067

CCn1c(SCc2nc(-c3cc(F)ccc3F)no2)nnc1-c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
TP53 P04637 6/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
THRB P10828 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.47
MAPK1 P28482 3/20 0.46
USP2 O75604 2/20 0.46
TSHR P16473 2/20 0.46
TNKS2 Q9H2K2 2/20 0.45
ATM Q13315 1/20 0.43

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
SCHEMBL1543659 0.87 KMT2A (0.47) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL1543965 0.86 ALDH1A1 (0.69) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL1543793 0.86 SMN1; SMN2 (0.69) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL1543769 0.79 MAPT (0.50) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL1544317 0.78 SMN1; SMN2 (0.68) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL1543922 0.78 MAPT (0.76) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL1544022 0.77 MAPT (0.68) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL5758372 0.75 OPRK1 (0.49) TP53KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1544035 0.73 MAPT (0.52) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL1544241 0.71 KMT2A (0.56) TP53KMT2AMEN1SMN1; SMN2ALDH1A1

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
EP-1723144-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-22 EP disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed