SCHEMBL27697481

SCHEMBL27697481

COc1ccc(CCCNc2ncnc3sccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
LMNA P02545 4/20 0.64
HTT P42858 4/20 0.64
NPC1 O15118 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
GALR3 O60755 1/20 0.64
NR2F2 P24468 1/20 0.64
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
TNF P01375 2/20 0.57
NOD1 Q9Y239 2/20 0.57
TSHR P16473 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46

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
SCHEMBL5423236 0.93 RAB9A (0.73) RAB9ALMNAHTTNPC1SMN1; SMN2
SCHEMBL5580128 0.85 TNF (0.72) RAB9ALMNAHTTNPC1SMN1; SMN2
SCHEMBL8506192 0.84 HTT (0.63) RAB9ALMNAHTTNPC1SMN1; SMN2
SCHEMBL8496629 0.81 HTT (0.71) RAB9ALMNAHTTNPC1SMN1; SMN2
SCHEMBL31044777 0.81 NPC1 (0.43) RAB9ALMNAHTTNPC1SMN1; SMN2
SCHEMBL1901540 0.80 HTT (0.62) RAB9ALMNAHTTNPC1SMN1; SMN2
SCHEMBL27697469 0.80 NPC1 (0.49) RAB9ALMNAHTTNPC1SMN1; SMN2
SCHEMBL8515605 0.78 KMT2A (0.57) RAB9ALMNAHTTNPC1SMN1; SMN2
SCHEMBL17456981 0.78 SMN1; SMN2 (1.00) RAB9ALMNAHTTNPC1SMN1; SMN2
SCHEMBL8490156 0.78 HTT (0.60) RAB9ALMNAHTTNPC1SMN1; SMN2

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
CN-101061122-A Novel thieno-pyridine and thieno-pyrimidine derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN disclosed