SCHEMBL8795502

SCHEMBL8795502

CN=C(C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21)N(C)S(N)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA9 Q16790 5/20 0.34
CA12 O43570 4/20 0.34
HIF1A Q16665 3/20 0.33
EPAS1 Q99814 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PDE2A O00408 1/20 0.32
PDE5A O76074 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
APEX1 P27695 1/20 0.32

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
SCHEMBL8795239 0.86 GAA (0.36) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL8795506 0.84 POLB (0.36) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL8794942 0.84 ALDH1A1 (0.34) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL8793993 0.82 EGFR (0.34) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL8795244 0.80 POLB (0.36) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL8794947 0.79 L3MBTL1 (0.36) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL29442980 0.77 EGFR (0.34) POLBMAPTKDM4ECA1CA2
SCHEMBL8793999 0.77 EGFR (0.34) POLBMAPTKDM4ECA1CA2
SCHEMBL9566804 0.76 MAPT (0.36) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL8796400 0.75 ALDH1A1 (0.38) POLBCA1CA2CA9HIF1A

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