SCHEMBL9761640

SCHEMBL9761640

NCCCCCCc1n[nH]c([N+](=O)[O-])c1N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.33
HRH3 Q9Y5N1 4/20 0.33
HRH4 Q9H3N8 3/20 0.33
HRH2 P25021 2/20 0.33

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
SCHEMBL9762371 0.80
SCHEMBL9761370 0.76 KDM4E (0.34)
SCHEMBL9761854 0.74 NPC1 (0.41) HRH3HRH4
SCHEMBL9761212 0.74 PARP1 (0.36)
SCHEMBL9762702 0.73 MAPT (0.33) HRH1HRH3HRH4HRH2
SCHEMBL10400103 0.70 HRH3 (0.41) HRH1HRH3HRH4HRH2
SCHEMBL9761748 0.69 HRH1 (0.32) HRH1
SCHEMBL9761376 0.69 MAPT (0.35)
SCHEMBL9761579 0.69 MEN1 (0.32)
SCHEMBL9762396 0.69 MAPT (0.33)

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
US-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed