SCHEMBL6679541

SCHEMBL6679541

[O-][n+]1nc(NCCN2CCCCC2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
ACP1 P24666 4/20 0.46
SMARCA2 P51531 1/20 0.46
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
KAT2B Q92831 1/20 0.40

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
SCHEMBL6679085 0.99 TOP2A (0.46) TOP2AHRH3ACP1SMARCA2TSHR
SCHEMBL6679149 0.88 TSHR (0.55) TOP2AACP1SMARCA2TSHRACHE
SCHEMBL6677139 0.84 ACHE (0.48) TOP2AACP1SMARCA2ACHE
SCHEMBL6675351 0.83 HRH3 (0.44) HRH3ACHE
SCHEMBL6678907 0.83 ACHE (0.47) TOP2AACP1SMARCA2TSHRACHE
SCHEMBL6674578 0.83 SRC (0.43) TOP2AHRH3ACP1SMARCA2ACHE
SCHEMBL6676209 0.82 KMT5A (0.44) ACP1
SCHEMBL2246009 0.81 ACP1 (0.36) TOP2AHRH3ACP1SMARCA2ACHE
SCHEMBL2246141 0.81 ACP1 (0.36) TOP2AHRH3ACP1SMARCA2ACHE
SCHEMBL6676198 0.80 ACHE (0.38) TOP2AHRH3ACP1SMARCA2ACHE

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-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed