SCHEMBL8740701

SCHEMBL8740701

CN(C)c1ccc(C=Cc2cccc[n+]2C)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.56
KMT2A Q03164 10/20 0.56
RAB9A P51151 9/20 0.56
NPC1 O15118 6/20 0.56
GFER P55789 3/20 0.56
APOBEC3A P31941 3/20 0.56
APOBEC3G Q9HC16 3/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
STAT3 P40763 1/20 0.48
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 2/20 0.45
ALPG P10696 1/20 0.45
POLB P06746 3/20 0.44
KDM4A O75164 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44

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 0.88 MEN1 (0.62) MEN1KMT2ARAB9ANPC1GFER
SCHEMBL11386719 0.88 RAB9A (0.51) MEN1KMT2ARAB9ANPC1GFER
SCHEMBL11386724 0.88 RAB9A (0.51) MEN1KMT2ARAB9ANPC1GFER
SCHEMBL11384770 0.87 RAB9A (0.51) MEN1KMT2ARAB9ANPC1GFER
SCHEMBL7045635 0.87 RAB9A (0.51) MEN1KMT2ARAB9ANPC1GFER
SCHEMBL531127 0.85 MEN1 (0.63) MEN1KMT2ARAB9ANPC1GFER
SCHEMBL531126 0.85 MEN1 (0.63) MEN1KMT2ARAB9ANPC1GFER
SCHEMBL8740710 0.84 RELA (0.49) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL768765 0.83 MEN1 (0.69) MEN1KMT2ARAB9ANPC1GFER
SCHEMBL5676661 0.83 MEN1 (0.69) MEN1KMT2ARAB9ANPC1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783492-A4 PROCESS FOR THE PREPARATION OF STILBAZOLIUM SALTS MOLECULAR OPTOELECTRONICS CORP (US) 1997-12-03 EP claimed
EP-0783492-A2 PROCESS FOR THE PREPARATION OF STILBAZOLIUM SALTS MOLECULAR OPTOELECTRONICS CORPORATION (US) 1997-07-16 EP claimed
WO-1996008474-A1 PROCESS FOR THE PREPARATION OF STILBAZOLIUM SALTS MOLECULAR OPTOELECTRONICS CORPORATION (US) 1996-03-21 WO claimed
US-5360911-A From alkylated pyridinium salt and a benzaldehyde with a pyrrolidine catalyst GENERAL ELECTRIC COMPANY (US) 1994-11-01 US claimed
EP-0783492-A4 PROCESS FOR THE PREPARATION OF STILBAZOLIUM SALTS MOLECULAR OPTOELECTRONICS CORP (US) 1997-12-03 EP disclosed
EP-0783492-A2 PROCESS FOR THE PREPARATION OF STILBAZOLIUM SALTS MOLECULAR OPTOELECTRONICS CORPORATION (US) 1997-07-16 EP disclosed
WO-1996008474-A1 PROCESS FOR THE PREPARATION OF STILBAZOLIUM SALTS MOLECULAR OPTOELECTRONICS CORPORATION (US) 1996-03-21 WO disclosed
US-5360911-A From alkylated pyridinium salt and a benzaldehyde with a pyrrolidine catalyst GENERAL ELECTRIC COMPANY (US) 1994-11-01 US disclosed