SCHEMBL9118710

SCHEMBL9118710

CCC(C)(C)c1ccc(S)c(Oc2ccc(C(F)(F)F)cc2N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 2/20 0.53
ATM Q13315 2/20 0.53
RAB9A P51151 4/20 0.50
NPSR1 Q6W5P4 4/20 0.47
NPC1 O15118 3/20 0.39
MAPK1 P28482 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
UBE2N P61088 2/20 0.36
GLA P06280 1/20 0.36
CFTR P13569 1/20 0.36
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MITF O75030 1/20 0.34

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
SCHEMBL8740742 0.91 MAPT (0.54) MAPTL3MBTL1LMNAATMRAB9A
SCHEMBL5720198 0.83 L3MBTL1 (0.49) MAPTL3MBTL1LMNAATMRAB9A
SCHEMBL11706565 0.82 MAPT (0.72) MAPTL3MBTL1LMNAATMRAB9A
SCHEMBL8432586 0.80 L3MBTL1 (0.49) MAPTL3MBTL1LMNAATMRAB9A
SCHEMBL8077059 0.80 ALDH1A1 (0.51) MAPTL3MBTL1LMNAATMRAB9A
SCHEMBL8077096 0.78 CFTR (0.57) MAPTL3MBTL1LMNAATMRAB9A
SCHEMBL8935331 0.78 L3MBTL1 (0.69) MAPTL3MBTL1LMNAATMRAB9A
SCHEMBL21791773 0.75 MAPT (0.42) MAPTL3MBTL1LMNAATMRAB9A
SCHEMBL11703208 0.74 MAPT (0.67) MAPTL3MBTL1LMNAATMRAB9A
SCHEMBL3277810 0.73 MAPT (0.52) MAPTL3MBTL1LMNAATMRAB9A

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-1995033458-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed