SCHEMBL28329633

SCHEMBL28329633

Fc1ccc([Se]C=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
NFE2L2 Q16236 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PLA2G7 Q13093 1/20 0.36
KMT2A Q03164 3/20 0.35
SNCA P37840 1/20 0.35
MEN1 O00255 2/20 0.34
EPHX1 P07099 1/20 0.34
POLB P06746 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
SCHEMBL28329637 0.86 BBOX1 (0.40) PTGS2TDP1
SCHEMBL28328449 0.81 CES2 (0.44) PTGS2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28329608 0.81 TPMT (0.34) TDP1
SCHEMBL28329618 0.81 CES2 (0.44) PTGS2
SCHEMBL28328421 0.81 KMT2A (0.38) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL28329607 0.80 NPC1 (0.44) NPC1RAB9AKCNK3
SCHEMBL28328373 0.77 NPC1 (0.38) PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL28328363 0.77 ACHE (0.36) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL28328372 0.76 CES2 (0.47) PTGS2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28329609 0.76 MEN1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452145-B Synthetic method of alpha, beta-unsaturated selenium compound 温州大学 2021-04-13 CN disclosed
CN-110452145-A α, β-unsaturation selenium class compound synthetic method UNIV WENZHOU 2019-11-15 CN disclosed