SCHEMBL7269166

SCHEMBL7269166

O=C(O)c1ccc2nc(-c3ccc(Oc4ccccc4[N+](=O)[O-])cc3)c(-c3ccc(Oc4ccccc4[N+](=O)[O-])cc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
KDM4E B2RXH2 4/20 0.57
GAA P10253 3/20 0.57
HPGD P15428 3/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 6/20 0.51
CDH1 P12830 1/20 0.51
APC P25054 1/20 0.51
CTNNB1 P35222 1/20 0.51
TCF7L2 Q9NQB0 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CHEK2 O96017 2/20 0.47
HPSE Q9Y251 1/20 0.47

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
SCHEMBL7264361 0.83 CHEK2 (0.65) ALDH1A1KDM4EGAAHPGDRAB9A
SCHEMBL6275897 0.82 ALDH1A1 (0.75) ALDH1A1KDM4EGAAHPGDRAB9A
SCHEMBL7270525 0.82 ALDH1A1 (0.63) ALDH1A1KDM4EGAAHPGDRAB9A
SCHEMBL8456613 0.81 HPSE (0.58) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL7264357 0.80 MEN1 (0.52) ALDH1A1KDM4EGAAHPGDRAB9A
SCHEMBL15666198 0.79 ALDH1A1 (0.74) ALDH1A1KDM4EGAAHPGDRAB9A
SCHEMBL9788775 0.78 DHODH (0.74) DHODH
SCHEMBL7269138 0.77 ALDH1A1 (0.66) ALDH1A1KDM4EGAAHPGDRAB9A
SCHEMBL7269179 0.77 MEN1 (0.50) ALDH1A1KDM4EGAAHPGDRAB9A
SCHEMBL7161102 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EGAAHPGDRAB9A

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
US-6552195-B1 Room temperature initiators for bismaleimide polymerization THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2003-04-22 US disclosed