SCHEMBL29951476

SCHEMBL29951476

Nc1nc(C=O)c(Br)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
KMT2A Q03164 1/20 0.37
ERN1 O75460 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
SCHEMBL17301945 0.72 RRM2 (0.31)
SCHEMBL503089 0.70 HTT (0.42) HTTKMT2A
SCHEMBL29950531 0.68 BACE1 (0.41) ERN1
SCHEMBL25521648 0.67 ALDH1A3 (0.39) KMT2A
SCHEMBL24558949 0.67 CA1 (0.35) ERN1
SCHEMBL2400774 0.67 HTT (0.39) HTTKMT2A
SCHEMBL2401968 0.67 LMNA (0.46) HTTKMT2A
SCHEMBL30859069 0.67 HTT (0.44) HTTKMT2A
SCHEMBL29693601 0.67 LMNA (0.46) HTTKMT2A
SCHEMBL13606495 0.67 ATR (0.37) HTTKMT2A

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed