SCHEMBL8313666

SCHEMBL8313666

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

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.31
EGFR P00533 1/20 0.31
NR1I2 O75469 1/20 0.31
NR3C1 P04150 1/20 0.31
ABCB1 P08183 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AGTR1 P30556 1/20 0.31
CCKBR P32239 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 1/20 0.31
SCN5A Q14524 1/20 0.31
SLC29A1 Q99808 1/20 0.31
AKR1B1 P15121 1/20 0.31
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL8795889 0.85 EGFR (0.34) TBXA2REGFRNR3C1AKR1B1KMT2A
SCHEMBL8795892 0.85 EGFR (0.34) TBXA2REGFRNR3C1AKR1B1KMT2A
SCHEMBL8316173 0.83 EGFR (0.34) EGFRAKR1B1ALDH1A1KDM4EMAPT
SCHEMBL8315152 0.82 EGFR (0.30) EGFRAKR1B1KMT2AALDH1A1MEN1
SCHEMBL8794786 0.80 MEN1 (0.35) EGFRNR3C1AKR1B1KMT2AALDH1A1
SCHEMBL8794789 0.80 MEN1 (0.35) EGFRNR3C1AKR1B1KMT2AALDH1A1
SCHEMBL8316094 0.79 TLR3 (0.35) EGFRAKR1B1KMT2AALDH1A1MEN1
SCHEMBL8314877 0.79 MEN1 (0.36) ADORA3AKR1B1KMT2AALDH1A1MEN1
SCHEMBL8312522 0.78 ALDH1A1 (0.36) AKR1B1KMT2AALDH1A1MEN1MAPT
SCHEMBL8316461 0.77 L3MBTL1 (0.41) NR3C1AKR1B1KMT2AALDH1A1MEN1

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