SCHEMBL6529150

SCHEMBL6529150

COc1ccc(Sc2nc(Cl)nc(Nc3cccc(F)c3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.61
APP P05067 3/20 0.54
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
RAD52 P43351 1/20 0.45
KMT2A Q03164 1/20 0.45
NFKB1 P19838 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
SCHEMBL28851008 0.87 CHRNA7 (0.56) CHRNA7APPMAPTSMN1; SMN2POLB
SCHEMBL6530945 0.85 KCNH3 (0.59) CHRNA7APPMAPTTP53POLB
SCHEMBL6529680 0.81 KCNH3 (0.43) CHRNA7APPMAPTSMN1; SMN2TP53
SCHEMBL6529816 0.81 KCNH3 (0.43) CHRNA7APPMAPTTP53POLB
SCHEMBL6531533 0.81 CA12 (0.45) CHRNA7APPMAPTSMN1; SMN2TP53
SCHEMBL6531003 0.81 CHRNA7 (0.63) CHRNA7APPMAPTSMN1; SMN2
SCHEMBL28851466 0.80 MAPT (0.63) CHRNA7APPMAPTSMN1; SMN2MEN1
SCHEMBL8298690 0.78 APP (0.54) CHRNA7APPMAPTSMN1; SMN2TP53
SCHEMBL6530404 0.78 IDH2 (0.43) CHRNA7MAPTTP53POLBMEN1
SCHEMBL6527570 0.78 IDH2 (0.43) CHRNA7MAPTTP53POLBMEN1

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-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