SCHEMBL30115010

SCHEMBL30115010

CCCCCn1cc[n+](C)c1.N#C[N-]C#N

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
HSP90AA1 P07900 2/20 0.71
KMT2A Q03164 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
APAF1 O14727 1/20 0.71
NPC1 O15118 1/20 0.71
PLA2G1B P04054 1/20 0.71
MAPT P10636 1/20 0.71
MAPK1 P28482 1/20 0.71
HTT P42858 1/20 0.71
RAB9A P51151 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
ATG4B Q9Y4P1 1/20 0.71
FDPS P14324 17/20 0.36

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
SCHEMBL29924363 0.98 MEN1 (0.73) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1956577 0.95 MEN1 (0.63) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Thiocyanic Acid SCHEMBL15008519 0.87 MEN1 (0.75) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL372839 0.87 MEN1 (0.92) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Cyanamide SCHEMBL23004361 0.86 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Thiocyanic Acid SCHEMBL15009008 0.86 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Thiocyanic Acid SCHEMBL2125982 0.86 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Thiocyanic Acid SCHEMBL2125778 0.86 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Thiocyanic Acid SCHEMBL666009 0.86 MEN1 (0.78) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Thiocyanic Acid SCHEMBL2124101 0.86 MEN1 (0.78) 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-115141480-A Antistatic thermoplastic polyurethane and preparation method and application thereof 上海朗亿功能材料有限公司 2022-10-04 CN disclosed