SCHEMBL28125366

SCHEMBL28125366

NCCOCCNC(=O)c1cc[c]cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
CA2 P00918 5/20 0.49
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MAOB P27338 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3038665 0.86 SMN1; SMN2 (0.58) SMN1; SMN2CA2KMT2AHDAC3HDAC1
SCHEMBL12832761 0.84 SMN1; SMN2 (0.81) SMN1; SMN2CA2HDAC3HDAC1NPC1
SCHEMBL3030613 0.83 MAOB (0.62) SMN1; SMN2CYP1A2TSHRNFKB1MAOB
SCHEMBL28984149 0.83 SMN1; SMN2 (0.84) SMN1; SMN2CA2HDAC3HDAC1NPC1
SCHEMBL10064731 0.83 SMN1; SMN2 (0.84) SMN1; SMN2CA2HDAC3HDAC1NPC1
SCHEMBL1416416 0.83 HPGD (0.56) SMN1; SMN2KMT2AMEN1NPC1HPGD
SCHEMBL29230045 0.82 SMN1; SMN2 (0.55) SMN1; SMN2CA2CYP1A2TSHRNFKB1
SCHEMBL29104753 0.81 SMN1; SMN2 (0.57) SMN1; SMN2CA2CYP1A2TSHRNFKB1
SCHEMBL23568255 0.81 SMN1; SMN2 (0.57) SMN1; SMN2CA2CYP1A2TSHRNFKB1
SCHEMBL23569027 0.81 KMT2A (0.68) SMN1; SMN2CA2KMT2AMEN1HDAC3

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-106459089-A Biotin variants, streptavidin mutants and uses thereof 赛威德医疗公司 2017-02-22 CN disclosed