SCHEMBL7460928

SCHEMBL7460928

O=[N+]([O-])c1cc2c(NC(OCc3ccccc3)c3ccccc3)ncnc2cc1N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
WDR5 P61964 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
PRMT5 O14744 2/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
EGFR P00533 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL7460969 0.88 ACHE (0.41) HTR6HPGDSMN1; SMN2WDR5KMT2A
SCHEMBL7458939 0.84 SMN1; SMN2 (0.44) HTR6HPGDSMN1; SMN2WDR5KMT2A
SCHEMBL7475690 0.84 SMN1; SMN2 (0.44) HTR6HPGDSMN1; SMN2WDR5KMT2A
SCHEMBL7463550 0.82 ACHE (0.40) HTR6HPGDSMN1; SMN2WDR5KMT2A
SCHEMBL7459092 0.82 HTR6 (0.42) HTR6HPGDSMN1; SMN2WDR5KMT2A
SCHEMBL7475452 0.82 EGFR (0.52) ABCG2EGFRPDGFRB
SCHEMBL7468826 0.82 EGFR (0.56) HTR6HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL7468704 0.81 SMN1; SMN2 (0.42) HTR6HPGDSMN1; SMN2WDR5KMT2A
SCHEMBL7469187 0.81 HPGD (0.40) HTR6HPGDSMN1; SMN2WDR5KMT2A
SCHEMBL7460925 0.80 EGFR (0.48) HTR6HPGDHTR1ASLC6A2SLC6A4

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