SCHEMBL9330367

SCHEMBL9330367

CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1.O=S(=O)([O-])C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
RAB9A P51151 8/20 0.53
NPC1 O15118 6/20 0.53
MAPT P10636 4/20 0.50
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.50
STAT3 P40763 1/20 0.50
GFER P55789 3/20 0.46
APOBEC3A P31941 3/20 0.46
APOBEC3G Q9HC16 3/20 0.46
GAA P10253 2/20 0.46
KDM4A O75164 2/20 0.46
KDM2A Q9Y2K7 2/20 0.46
NPSR1 Q6W5P4 3/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 2/20 0.44
ALPG P10696 1/20 0.44
RELA Q04206 1/20 0.41

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
SCHEMBL8740682 0.87 MEN1 (0.62) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5676661 0.83 MEN1 (0.69) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL768765 0.83 MEN1 (0.69) MEN1KMT2ARAB9ANPC1MAPT
Iodide SCHEMBL30440886 0.81 MEN1 (0.68) MEN1KMT2ARAB9ANPC1MAPT
Iodide SCHEMBL9394921 0.81 MEN1 (0.68) MEN1KMT2ARAB9ANPC1MAPT
Iodide SCHEMBL31193351 0.81 MEN1 (0.68) MEN1KMT2ARAB9ANPC1MAPT
Iodide SCHEMBL592725 0.81 MEN1 (0.68) MEN1KMT2ARAB9ANPC1MAPT
Iodide SCHEMBL592724 0.81 MEN1 (0.68) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL8740701 0.81 MEN1 (0.56) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL19494963 0.75 APP (0.58) MEN1KMT2ARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292888-A High melting point stilbazolium salts GENERAL ELECTRIC COMPANY (US) 1994-03-08 US claimed
US-5292888-A High melting point stilbazolium salts GENERAL ELECTRIC COMPANY (US) 1994-03-08 US disclosed
US-5292888-A High melting point stilbazolium salts GENERAL ELECTRIC COMPANY (US) 1994-03-08 US disclosed