SCHEMBL27699775

SCHEMBL27699775

ClOCl.O=C(NCCCl)Nc1cccnc1.[SeH2]

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.68
FLT4 P35916 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.57
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
RAB9A P51151 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
FPR2 P25090 1/20 0.51
NPC1 O15118 6/20 0.50
PKM P14618 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
Selenium SCHEMBL10544450 0.97 CDK2 (0.68) CDK2FLT4L3MBTL1KEAP1NFE2L2
SCHEMBL3787099 0.94 CDK2 (0.75) CDK2FLT4L3MBTL1KEAP1NFE2L2
SCHEMBL3780409 0.86 FLT4 (0.81) CDK2FLT4L3MBTL1KEAP1NFE2L2
SCHEMBL10987238 0.80 CDK2 (0.75) CDK2FLT4L3MBTL1KEAP1NFE2L2
SCHEMBL29128700 0.80 CDK2 (0.61) CDK2FLT4L3MBTL1RAB9AMEN1
SCHEMBL30725327 0.80 CDK2 (0.61) CDK2FLT4L3MBTL1RAB9AMEN1
SCHEMBL30831950 0.78 CDK2 (0.73) CDK2FLT4L3MBTL1KEAP1NFE2L2
SCHEMBL17524348 0.78 CDK2 (0.73) CDK2FLT4L3MBTL1KEAP1NFE2L2
SCHEMBL12989334 0.77 CDK2 (0.81) CDK2FLT4L3MBTL1KEAP1NFE2L2
SCHEMBL6464624 0.77 CDK2 (0.71) CDK2FLT4L3MBTL1KEAP1NFE2L2

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
CN-86107767-A NOVEL ORGANIC SELENIUM COMPOUNDS 1987-08-05 CN disclosed