SCHEMBL8316094

SCHEMBL8316094

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
ALDH1A1 P00352 7/20 0.33
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 2/20 0.32
MALT1 Q9UDY8 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
EGFR P00533 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL8794786 0.91 MEN1 (0.35) ALDH1A1MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL8794789 0.91 MEN1 (0.35) ALDH1A1MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL8795892 0.85 EGFR (0.34) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8795889 0.85 EGFR (0.34) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8314196 0.82 TLR3 (0.34) TLR3TLR9TLR8ALDH1A1MAPT
SCHEMBL8316173 0.81 EGFR (0.34) ALDH1A1MAPTEGFRAKR1B1
SCHEMBL8313666 0.79 TBXA2R (0.31) ALDH1A1MAPTMEN1KMT2AEGFR
SCHEMBL8312851 0.79 TLR3 (0.38) TLR3TLR9TLR8ALDH1A1MAPT
SCHEMBL8313582 0.78 TLR3 (0.38) TLR3TLR9TLR8ALDH1A1MAPT
SCHEMBL8313587 0.77 L3MBTL1 (0.41) TLR3TLR9TLR8ALDH1A1L3MBTL1

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