SCHEMBL374530

SCHEMBL374530

COc1cc(C=O)cc([N+](=O)[O-])c1O.COc1cc(C=O)cc([N+](=O)[O-])c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.66
XDH P47989 1/20 0.63
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
POLB P06746 4/20 0.60
TDP1 Q9NUW8 2/20 0.60
JUN P05412 1/20 0.60
GFER P55789 1/20 0.59
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ERN1 O75460 1/20 0.55
SIRT1 Q96EB6 1/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
PRKDC P78527 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 3/20 0.51
PIM1 P11309 1/20 0.50

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
SCHEMBL344482 1.00 EGFR (0.66) EGFRXDHMAPTSMN1; SMN2POLB
SCHEMBL29672623 1.00 EGFR (0.66) EGFRXDHMAPTSMN1; SMN2POLB
Methyl Alcohol SCHEMBL29087051 0.98 EGFR (0.64) EGFRXDHMAPTSMN1; SMN2POLB
Cyclohexylamine SCHEMBL7798524 0.86 POLB (0.56) EGFRXDHMAPTSMN1; SMN2POLB
SCHEMBL4499495 0.85 JUN (0.62) EGFRXDHMAPTSMN1; SMN2POLB
SCHEMBL4499494 0.85 JUN (0.62) EGFRXDHMAPTSMN1; SMN2POLB
SCHEMBL31337893 0.83 TUBB4A (0.61) EGFRXDHMAPTSMN1; SMN2POLB
SCHEMBL1447403 0.83 TUBB4A (0.61) EGFRXDHMAPTSMN1; SMN2POLB
SCHEMBL1515869 0.83 XDH (0.58) EGFRXDHMAPTSMN1; SMN2POLB
SCHEMBL346053 0.83 KMT2A (0.64) EGFRXDHMAPTSMN1; SMN2POLB

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-2408789-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES Centre National De La Recherche Scientifique CNRS (FR) 2012-01-25 EP disclosed