SCHEMBL8316173

SCHEMBL8316173

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
AKR1B1 P15121 2/20 0.31
HPRT1 P00492 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CTSL P07711 1/20 0.31
ABCC9 O60706 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
RECQL P46063 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
SCHEMBL8795892 0.87 EGFR (0.34) EGFRMAPTKDM4EMAPK1TDP1
SCHEMBL8795889 0.87 EGFR (0.34) EGFRMAPTKDM4EMAPK1TDP1
SCHEMBL8313666 0.83 TBXA2R (0.31) EGFRMAPTKDM4EAKR1B1ALDH1A1
SCHEMBL8794786 0.82 MEN1 (0.35) EGFRMAPTMAPK1AKR1B1ALDH1A1
SCHEMBL8794789 0.82 MEN1 (0.35) EGFRMAPTMAPK1AKR1B1ALDH1A1
SCHEMBL8316094 0.81 TLR3 (0.35) EGFRMAPTAKR1B1ALDH1A1
SCHEMBL8311296 0.78 AKR1B1 (0.37) MAPTKDM4ETDP1AKR1B1ALDH1A1
SCHEMBL6270429 0.78 AKR1B1 (0.40) MAPTTDP1AKR1B1ALDH1A1CA1
SCHEMBL8312387 0.77 ALDH1A1 (0.37) MAPTTDP1AKR1B1ALDH1A1CTSL
SCHEMBL8134324 0.77 KMT2A (0.38) MAPTKDM4ETDP1AKR1B1ALDH1A1

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