SCHEMBL11277604

SCHEMBL11277604

NCCc1nc(I)[nH]c1I

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
Hydrochloric Acid SCHEMBL9662073 0.61 TDP1 (0.60) HRH2HRH1HRH4HRH3TDP1
SCHEMBL11284245 0.58
Hydrochloric Acid SCHEMBL9468067 0.58 TDP1 (0.47) HRH2HRH1HRH4HRH3TDP1
SCHEMBL11289140 0.58
SCHEMBL31086324 0.51 TAAR1 (0.38)
SCHEMBL13978273 0.47 LOXL2 (0.35) HRH2HRH1HRH4HRH3
Ethylenediamine SCHEMBL10626954 0.43
Ethylenediamine SCHEMBL3083 0.38
Ethylenediamine SCHEMBL7085968 0.38 NFKB1 (0.50) TDP1
Ethylenediamine SCHEMBL37647 0.38

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-4358435-A Ligand compositions and processes for their manufacture and their use in radioimmunoassay THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1982-11-09 US disclosed