SCHEMBL2935751

SCHEMBL2935751

CCn1cc[n+](C)c1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

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
LMNA P02545 6/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 4/20 0.41
THRB P10828 2/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PSIP1 O75475 1/20 0.37
PON1 P27169 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 4/20 0.36
MAPK1 P28482 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
APAF1 O14727 1/20 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
SCHEMBL52073 0.88 HTT (0.42) LMNAMAPTNPSR1GAAALDH1A1
SCHEMBL4457301 0.86 MAPT (0.52) LMNAMAPTNPSR1THRBTP53
Toluene SCHEMBL14859755 0.85 LMNA (0.41) LMNAMAPTNPSR1THRBTP53
SCHEMBL7463637 0.84 MEN1 (0.61) MAPTNPSR1GAAALDH1A1SMN1; SMN2
SCHEMBL7457714 0.84 MEN1 (0.61) MAPTNPSR1GAAALDH1A1SMN1; SMN2
SCHEMBL7462985 0.84 MEN1 (0.61) MAPTNPSR1GAAALDH1A1SMN1; SMN2
SCHEMBL3038116 0.83 CA1 (0.35) LMNAMAPTNPSR1GAAALDH1A1
Phenylmethanesulfonic Acid SCHEMBL3826460 0.83 LMNA (0.39) LMNAMAPTNPSR1THRBTP53
Sulfuric Acid SCHEMBL2325415 0.82 SMN1; SMN2 (0.46) LMNAMAPTNPSR1THRBTP53
SCHEMBL18525262 0.82 RAPGEF4 (0.39) LMNAMAPTNPSR1THRBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100296226-A1 ELECTRIC DOUBLE LAYER CAPACITOR SHOWA DENKO K.K. (JP) 2010-11-25 US disclosed
EP-1182197-A1 Single step preparation of ionic fluids Solvent Innovation GmbH (DE) 2002-02-27 EP disclosed