SCHEMBL16705409

SCHEMBL16705409

CC(C)CCn1cc(I)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.41
KDM5B Q9UGL1 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
SYK P43405 1/20 0.35
CTSD P07339 2/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
ACHE P22303 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SORT1 Q99523 1/20 0.33
IDH1 O75874 1/20 0.31
IDH2 P48735 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
SCHEMBL31313149 0.87 L3MBTL1 (0.35) NAMPTKDM5BACHEL3MBTL1IDH1
SCHEMBL4612816 0.80 ACHE (0.49) NAMPTKDM5BPRMT5WDR77SYK
SCHEMBL2735687 0.78 NAMPT (0.42) NAMPTKDM5BPRMT5WDR77SYK
SCHEMBL10100353 0.78 NAMPT (0.42) NAMPTKDM5BPRMT5WDR77SYK
SCHEMBL671590 0.78
SCHEMBL1703139 0.77 MAPT (0.41) NAMPTKDM5BPRMT5WDR77SYK
SCHEMBL19122813 0.77 NAMPT (0.41) NAMPTKDM5BPRMT5WDR77SYK
SCHEMBL16100862 0.77 NAMPT (0.44) NAMPTKDM5BPRMT5WDR77SYK
SCHEMBL14077265 0.77 NAMPT (0.41) NAMPTKDM5BPRMT5WDR77SYK
SCHEMBL24973097 0.76 NAMPT (0.40) NAMPTKDM5BPRMT5WDR77SYK

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
EP-2549875-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed