SCHEMBL9761370

SCHEMBL9761370

NCCCCc1c(N)n[nH]c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL9761579 0.79 MEN1 (0.32) MEN1KMT2A
SCHEMBL9761640 0.76 HRH1 (0.33)
SCHEMBL9761268 0.73 CYP1A2 (0.37) MEN1KMT2A
SCHEMBL9761142 0.72 NPC1 (0.46) MEN1KMT2ACDK2
SCHEMBL9761376 0.70 MAPT (0.35) KDM4EMEN1KMT2A
SCHEMBL9761190 0.70 TSHR (0.37) MEN1KMT2ACCNE2CCNE1CDK2
SCHEMBL12334710 0.69 CCNE2 (0.37) CCNE2CCNE1CDK2
SCHEMBL9762371 0.69
SCHEMBL9762702 0.68 MAPT (0.33)
SCHEMBL9761813 0.68

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