SCHEMBL20079253

SCHEMBL20079253

C[C@H](I)NC1CCCCN(C)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 13/20 0.40
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BPTF Q12830 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL18233551 0.86 KAT2B (0.43) KAT2BGAAL3MBTL1BPTFKDM4E
SCHEMBL19720601 0.81 KAT2B (0.40) KAT2BGAAL3MBTL1BPTFKDM4E
SCHEMBL13766252 0.80 KAT2B (0.39) KAT2BGAAL3MBTL1BPTFKDM4E
SCHEMBL23977662 0.80 KAT2B (0.39) KAT2BGAAL3MBTL1BPTFKDM4E
SCHEMBL22303403 0.80 KAT2B (0.39) KAT2BGAAL3MBTL1BPTFKDM4E
SCHEMBL20922476 0.77 GAA (0.43) GAAL3MBTL1KDM4EALDH1A1
SCHEMBL20621874 0.74 KAT2B (0.34) KAT2BGAAL3MBTL1BPTFKDM4E
SCHEMBL18236735 0.74 KAT2B (0.34) KAT2BGAAL3MBTL1BPTFKDM4E
SCHEMBL14472668 0.74 KAT2B (0.34) KAT2BGAAL3MBTL1BPTFKDM4E
SCHEMBL15281313 0.74 KAT2B (0.41) KAT2BBPTF

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-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed