SCHEMBL16259241

SCHEMBL16259241

Cc1noc(C)c1-c1cc(N)c(N=NN)c(SNC2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.41
BRD2 P25440 7/20 0.41
BRD3 Q15059 7/20 0.41
ATAD2 Q6PL18 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL16259130 0.74 ERN1 (0.42) BRD4BRD2BRD3ATAD2
SCHEMBL16259269 0.70 ATAD2 (0.56) BRD4BRD2ATAD2
SCHEMBL21253666 0.69 BRD4 (0.39) BRD4BRD2BRD3
SCHEMBL16140179 0.68 BRD4 (0.64) BRD4BRD2BRD3
SCHEMBL16259137 0.68 BRD4 (0.57) BRD4BRD2BRD3ATAD2
SCHEMBL16110281 0.68 BRD4 (0.70) BRD4BRD2BRD3
SCHEMBL23176959 0.66 BRD4 (0.55) BRD4BRD2BRD3LMNACYP1A2
SCHEMBL19013791 0.66 BRD4 (0.48) BRD4BRD2BRD3
SCHEMBL16259118 0.65 BRD4 (0.44) BRD4BRD2BRD3ATAD2
SCHEMBL21253762 0.65 CYP1A2 (0.48) BRD4BRD2BRD3LMNACYP1A2

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