SCHEMBL8317389

SCHEMBL8317389

CN(C)C(=S)C1=CC2(CCOCC2)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
MGLL Q99685 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
OPRD1 P41143 1/20 0.34
FAAH O00519 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1B1 P15121 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
PHGDH O43175 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL8313587 0.88 L3MBTL1 (0.41) TLR3TLR9TLR8MALT1NR3C1
SCHEMBL8313582 0.85 TLR3 (0.38) TLR3TLR9TLR8MGLLMALT1
SCHEMBL8796400 0.83 ALDH1A1 (0.38) MALT1NR3C1PGRNR3C2AR
SCHEMBL8312851 0.82 TLR3 (0.38) TLR3TLR9TLR8MALT1OPRD1
SCHEMBL8314196 0.79 TLR3 (0.34) TLR3TLR9TLR8MALT1NR3C1
SCHEMBL8316194 0.77 ALDH1A1 (0.33) MGLLNR3C1PGRNR3C2AR
SCHEMBL8316094 0.76 TLR3 (0.35) TLR3TLR9TLR8MALT1KMT2A
SCHEMBL8796257 0.75 ALDH1A1 (0.36) MALT1NR3C1PGRNR3C2AR
SCHEMBL8317269 0.71 AKR1B1 (0.38) MALT1KMT2AALDH1A1SMN1; SMN2AKR1B1
SCHEMBL9566816 0.71 ALDH1A1 (0.41) TLR3MGLLNR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed