SCHEMBL7460969

SCHEMBL7460969

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
WDR5 P61964 1/20 0.37
KMT2A Q03164 1/20 0.37
EGFR P00533 6/20 0.37
HTR6 P50406 2/20 0.37
PKM P14618 1/20 0.36
KRAS P01116 1/20 0.36
SOS1 Q07889 1/20 0.36
FBP1 P09467 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PDGFRB P09619 2/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35

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
SCHEMBL7460928 0.88 HTR6 (0.41) ACHEBACE1HPGDSMN1; SMN2ABCG2
SCHEMBL7465511 0.83 EGFR (0.48) ABCG2EGFRKRASSOS1FBP1
SCHEMBL7463550 0.83 ACHE (0.40) ACHEBACE1HPGDSMN1; SMN2ABCG2
SCHEMBL7475690 0.82 SMN1; SMN2 (0.44) ACHEBACE1HPGDSMN1; SMN2ABCG2
SCHEMBL7458939 0.82 SMN1; SMN2 (0.44) ACHEBACE1HPGDSMN1; SMN2ABCG2
SCHEMBL7459092 0.82 HTR6 (0.42) ACHEBACE1HPGDSMN1; SMN2ABCG2
SCHEMBL7469187 0.80 HPGD (0.40) ACHEBACE1HPGDSMN1; SMN2WDR5
SCHEMBL7536684 0.80 SMN1; SMN2 (0.42) ACHEBACE1HPGDSMN1; SMN2ABCG2
SCHEMBL7468297 0.80 SMN1; SMN2 (0.44) ACHEBACE1HPGDSMN1; SMN2ABCG2
SCHEMBL7468704 0.80 SMN1; SMN2 (0.42) ACHEBACE1HPGDSMN1; SMN2ABCG2

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