SCHEMBL17102702

SCHEMBL17102702

CN(C)c1n(C)cc[n+]1C.COS(=O)(=O)[O-]

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 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
HDAC8 Q9BY41 4/20 0.36
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.32
APOBEC3A P31941 2/20 0.31
APOBEC3G Q9HC16 2/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSMD14 O00487 1/20 0.30
RAD52 P43351 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
Sulfuric Acid SCHEMBL17102688 0.90 HDAC8 (0.41) HTTHDAC8NPSR1APOBEC3AAPOBEC3G
Sulfuric Acid SCHEMBL17102586 0.87 HDAC8 (0.38) HTTHDAC8APOBEC3AAPOBEC3GPOLB
SCHEMBL1534053 0.78 HDAC8 (0.39) HTTHDAC8NPSR1LMNAAPOBEC3A
SCHEMBL28722829 0.74 APOBEC3A (0.42) HTTHDAC8NPSR1LMNAAPOBEC3A
SCHEMBL11272078 0.73 HDAC8 (0.35) HTTHDAC8NPSR1LMNAAPOBEC3A
SCHEMBL15559765 0.68 HTT (0.42) HTTHDAC8NPSR1LMNAAPOBEC3A
SCHEMBL19548308 0.68 HTT (0.42) HTTHDAC8NPSR1LMNAAPOBEC3A
SCHEMBL31460613 0.66 HDAC8 (0.45) HTTHDAC8NPSR1APOBEC3AAPOBEC3G
Sulfuric Acid SCHEMBL2866328 0.66 HDAC8 (0.45) HTTHDAC8NPSR1APOBEC3AAPOBEC3G
SCHEMBL4024967 0.65 MAPT (0.47) KDM4ESMN1; SMN2

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
US-9147919-B2 Methods of producing sulfate salts of cations from heteroatomic compounds and dialkyl sulfates and uses thereof FLUIDIC, INC. (US) 2015-09-29 US disclosed