SCHEMBL30488990

SCHEMBL30488990

CCCCn1cc[n+](C)c1.N#CC#N

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
HSP90AA1 P07900 2/20 0.69
KMT2A Q03164 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
APAF1 O14727 1/20 0.69
NPC1 O15118 1/20 0.69
PLA2G1B P04054 1/20 0.69
MAPT P10636 1/20 0.69
MAPK1 P28482 1/20 0.69
HTT P42858 1/20 0.69
RAB9A P51151 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
ATG4B Q9Y4P1 1/20 0.69
FDPS P14324 17/20 0.40

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
Thiocyanic Acid SCHEMBL26102977 0.91 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL30208821 0.91 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Cyanate SCHEMBL14894742 0.91 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Thiocyanic Acid SCHEMBL392288 0.91 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Cyanamide SCHEMBL20972169 0.91 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Water SCHEMBL1894532 0.91 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Water SCHEMBL1895218 0.91 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL34969 0.91 MEN1 (0.81) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL14841603 0.89 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Water SCHEMBL602794 0.89 MEN1 (0.79) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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-116041711-A Oligomeric phosphate polyol, catalytic synthesis method and application thereof 广东顺德同程新材料科技有限公司 2023-05-02 CN claimed