SCHEMBL9761748

SCHEMBL9761748

NCCCCCCc1nsc([N+](=O)[O-])c1N

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.32

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
SCHEMBL9762348 0.80
SCHEMBL9762602 0.76 NPC1 (0.41)
SCHEMBL9761813 0.76
SCHEMBL9761801 0.74 KMT2A (0.37)
SCHEMBL9762360 0.73 ALDH1A1 (0.33) HRH1
SCHEMBL10400605 0.70 HRH1 (0.33) HRH1
SCHEMBL9762720 0.69 DHFR (0.33)
SCHEMBL9761640 0.69 HRH1 (0.33) HRH1
SCHEMBL9761823 0.69
SCHEMBL9761403 0.68 ALDH1A1 (0.32)

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