SCHEMBL7220195

SCHEMBL7220195

[CH2]c1cccnc1SC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL7220201 0.78 NOS3 (0.43) L3MBTL1SLC22A12SMN1; SMN2KDM4E
SCHEMBL354086 0.77
SCHEMBL18059729 0.76 L3MBTL1 (0.36) L3MBTL1SLC22A12SMN1; SMN2KDM4EHSD17B10
SCHEMBL1583835 0.72 ALOX5AP (0.38) KDM4EHSD17B10
SCHEMBL15668935 0.72 ALDH1A1 (0.36) L3MBTL1SLC22A12SMN1; SMN2KDM4E
SCHEMBL15669102 0.72 MEN1 (0.44) L3MBTL1SLC22A12SMN1; SMN2KDM4E
SCHEMBL7092726 0.71 HSD11B1 (0.45) L3MBTL1SMN1; SMN2KDM4E
SCHEMBL4755990 0.71 ALDH1A1 (0.55) L3MBTL1SMN1; SMN2KDM4E
SCHEMBL13402273 0.71 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2
SCHEMBL3111824 0.68 ALDH1A1 (0.56) L3MBTL1SMN1; SMN2KDM4E

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-6503898-B1 Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-07 US disclosed