SCHEMBL7475690

SCHEMBL7475690

O=[N+]([O-])c1cc2c(NC(c3ccccc3)[N+](=O)[O-])ncnc2cc1N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 6/20 0.41
WDR5 P61964 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 5/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR6 P50406 2/20 0.38
POLB P06746 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
IP6K1 Q92551 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37

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 0.91 SMN1; SMN2 (0.44) SMN1; SMN2HPGDMAPTWDR5KMT2A
SCHEMBL7468704 0.87 SMN1; SMN2 (0.42) SMN1; SMN2HPGDMAPTWDR5KMT2A
SCHEMBL7459092 0.86 HTR6 (0.42) SMN1; SMN2HPGDMAPTWDR5KMT2A
SCHEMBL7536684 0.86 SMN1; SMN2 (0.42) SMN1; SMN2HPGDMAPTWDR5KMT2A
SCHEMBL7460928 0.84 HTR6 (0.41) SMN1; SMN2HPGDMAPTWDR5KMT2A
SCHEMBL7468297 0.84 SMN1; SMN2 (0.44) SMN1; SMN2HPGDMAPTWDR5KMT2A
SCHEMBL7469187 0.83 HPGD (0.40) SMN1; SMN2HPGDMAPTWDR5KMT2A
SCHEMBL7472430 0.83 SMN1; SMN2 (0.39) SMN1; SMN2HPGDMAPTWDR5KMT2A
SCHEMBL7460969 0.82 ACHE (0.41) SMN1; SMN2HPGDMAPTWDR5KMT2A
SCHEMBL7468826 0.82 EGFR (0.56) SMN1; SMN2HPGDMAPTLMNAGAA

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