SCHEMBL9619081

SCHEMBL9619081

COS(=O)(=O)O.C[S+](C)c1ccc(OC(=O)C(=O)Oc2ccc([S+](C)C)cc2)cc1

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 5/20 0.34
LMNA P02545 4/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ELANE P08246 5/20 0.34
RAB9A P51151 1/20 0.33
ACR P10323 1/20 0.33
MEN1 O00255 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TTR P02766 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
STS P08842 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL5576286 0.89 ELANE (0.47) MAPTPOLBPKMKMT2ALMNA
SCHEMBL9619082 0.88 MAPT (0.40) MAPTPOLBPKMKMT2ALMNA
SCHEMBL9442120 0.87 PKM (0.39) MAPTPOLBPKMKMT2ALMNA
SCHEMBL9487566 0.84 THRB (0.45) MAPTPOLBPKMKMT2ALMNA
SCHEMBL9356342 0.82 ELANE (0.53) MAPTPOLBPKMKMT2AELANE
Sulfuric Acid SCHEMBL5576288 0.79 MAPT (0.38) MAPTPOLBPKMKMT2ALMNA
SCHEMBL5576290 0.79 ELANE (0.46) MAPTPOLBPKMKMT2ALMNA
SCHEMBL9356273 0.78 ELANE (0.42) MAPTKMT2ALMNAELANESMN1; SMN2
SCHEMBL9355880 0.77 MMP2 (0.32) ELANE
SCHEMBL9442127 0.77 ELANE (0.38) ELANE

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
JP-4360865-A None JP disclosed
JP-H04360865-A SULFONIUM COMPOUND SANSHIN CHEM IND CO LTD 1992-12-14 JP disclosed