SCHEMBL9566804

SCHEMBL9566804

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 5/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AKR1B1 P15121 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MCL1 Q07820 1/20 0.33
PTPRC P08575 1/20 0.33
S100A4 P26447 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33

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 0.86 EGFR (0.34) MAPTCA1CA2CA7CA9
SCHEMBL8795895 0.86 EGFR (0.34) MAPTCA1CA2CA7CA9
SCHEMBL8795892 0.86 EGFR (0.34) MAPTCA1CA2CA7CA9
SCHEMBL8794716 0.84 MAPT (0.38) MAPTCA1CA2CA7CA9
SCHEMBL8794948 0.83 ALDH1A1 (0.40) MAPTCA1CA2CA7CA9
SCHEMBL8795239 0.80 GAA (0.36) MAPTCA1CA2CA7CA9
SCHEMBL8308734 0.80 AKR1B1 (0.43) MAPTCA1CA2CA7CA9
SCHEMBL8793993 0.79 EGFR (0.34) MAPTCA1CA2CA7CA9
SCHEMBL27316930 0.78 PRSS1 (0.40) MAPTCA1CA2CA7CA9
SCHEMBL27328716 0.78 CA1 (0.38) MAPTCA1CA2CA7CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541807-A1 NOVEL BENZOPYRAN DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-05-19 EP disclosed