SCHEMBL16259130

SCHEMBL16259130

Cc1noc(C)c1-c1cc(N)c(N=NN)c(I)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.42
BRD4 O60885 14/20 0.41
ATAD2 Q6PL18 1/20 0.40
BRD2 P25440 2/20 0.40
BRD3 Q15059 1/20 0.39
JAK2 O60674 1/20 0.39
CREBBP Q92793 1/20 0.36

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
SCHEMBL16259223 0.81 ERN1 (0.42) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL16110425 0.80 BRD4 (0.48) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL16259137 0.77 BRD4 (0.57) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL16259269 0.77 ATAD2 (0.56) ERN1BRD4ATAD2BRD2CREBBP
SCHEMBL16110759 0.75 BRD4 (0.44) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL16111048 0.74 CYP3A4 (0.45) BRD4ATAD2BRD2BRD3
SCHEMBL16259241 0.74 BRD4 (0.41) BRD4ATAD2BRD2BRD3
SCHEMBL16110198 0.72 BRD4 (0.41) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL16259213 0.71 ERN1 (0.55) ERN1BRD4ATAD2BRD2BRD3
SCHEMBL20362718 0.70 BRD4 (0.49) ERN1BRD4ATAD2BRD2BRD3

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
WO-2014182929-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 WO disclosed