SCHEMBL8795889

SCHEMBL8795889

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ABCC9 O60706 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
AKR1B1 P15121 2/20 0.32
HPRT1 P00492 1/20 0.32
TBXA2R P21731 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 7/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL8795892 1.00 EGFR (0.34) EGFRCA1CA2CA7CA9
SCHEMBL8795374 0.87 AKR1B1 (0.34) EGFRCA1CA2CA7CA9
SCHEMBL8795103 0.87 AKR1B1 (0.34) EGFRCA1CA2CA7CA9
SCHEMBL8316173 0.87 EGFR (0.34) EGFRCA1CA2CA7CA9
SCHEMBL9566804 0.86 MAPT (0.36) CA1CA2CA7CA9MEN1
SCHEMBL8794789 0.86 MEN1 (0.35) EGFRABCC9MEN1KMT2APOLB
SCHEMBL8794786 0.86 MEN1 (0.35) EGFRABCC9MEN1KMT2APOLB
SCHEMBL8316094 0.85 TLR3 (0.35) EGFRMEN1KMT2APOLBAKR1B1
SCHEMBL8313666 0.85 TBXA2R (0.31) EGFRMEN1KMT2AAKR1B1TBXA2R
SCHEMBL8794999 0.84 EGFR (0.36) EGFRCA1CA2CA7CA9

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-0541807-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1997-12-17 EP disclosed
US-5412117-A Potassium channel activators, antiasmatics, antiepileptics CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-02 US disclosed
EP-0541807-A1 NOVEL BENZOPYRAN DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-05-19 EP disclosed