SCHEMBL8314196

SCHEMBL8314196

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31
OPRD1 P41143 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGFR P00533 1/20 0.30
ALDH1A1 P00352 2/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL8794707 0.93 NR3C1 (0.32) NR3C1PGRNR3C2ARMALT1
SCHEMBL8793993 0.85 EGFR (0.34) NR3C1PGRNR3C2ARMALT1
SCHEMBL8316094 0.82 TLR3 (0.35) TLR3TLR9TLR8SMN1; SMN2MALT1
SCHEMBL8313587 0.80 L3MBTL1 (0.41) TLR3TLR9TLR8SMN1; SMN2NR3C1
SCHEMBL8315152 0.80 EGFR (0.30) EGFRALDH1A1AKR1B1
SCHEMBL8317389 0.79 TLR3 (0.38) TLR3TLR9TLR8SMN1; SMN2NR3C1
SCHEMBL8312851 0.76 TLR3 (0.38) TLR3TLR9TLR8SMN1; SMN2OPRD1
SCHEMBL8313582 0.75 TLR3 (0.38) TLR3TLR9TLR8SMN1; SMN2NR3C1
SCHEMBL8794789 0.74 MEN1 (0.35) SMN1; SMN2NR3C1PGRNR3C2AR
SCHEMBL8794786 0.74 MEN1 (0.35) SMN1; SMN2NR3C1PGRNR3C2AR

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