SCHEMBL7536684

SCHEMBL7536684

CC(=O)NC(Nc1ncnc2cc(N3CCNCC3)c([N+](=O)[O-])cc12)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 9/20 0.40
PKM P14618 2/20 0.40
EGFR P00533 1/20 0.39
KMT2A Q03164 3/20 0.38
WDR5 P61964 1/20 0.38
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL7458939 0.88 SMN1; SMN2 (0.44) SMN1; SMN2HPGDMAPTKMT2AWDR5
SCHEMBL7475690 0.86 SMN1; SMN2 (0.44) SMN1; SMN2HPGDMAPTKMT2AWDR5
SCHEMBL7469187 0.84 HPGD (0.40) SMN1; SMN2HPGDMAPTEGFRKMT2A
SCHEMBL7468704 0.83 SMN1; SMN2 (0.42) SMN1; SMN2HPGDMAPTKMT2AWDR5
SCHEMBL7472430 0.82 SMN1; SMN2 (0.39) SMN1; SMN2HPGDMAPTPKMEGFR
SCHEMBL7459092 0.81 HTR6 (0.42) SMN1; SMN2HPGDMAPTEGFRKMT2A
SCHEMBL7468297 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HPGDMAPTEGFRKMT2A
SCHEMBL7529433 0.81 EGFR (0.51) SMN1; SMN2MAPTPKMEGFRKMT2A
SCHEMBL7460928 0.80 HTR6 (0.41) SMN1; SMN2HPGDMAPTEGFRKMT2A
SCHEMBL7460969 0.80 ACHE (0.41) SMN1; SMN2HPGDMAPTPKMEGFR

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-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed