SCHEMBL8081808

SCHEMBL8081808

Cc1ccc(S(=O)(=O)[O-])cc1.c1ccc([S+](c2ccccc2)c2cccc(OC3CCCCO3)c2)cc1

nearest known ligand 0.38

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 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD11B1 P28845 1/20 0.38
DHFR P00374 1/20 0.37
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
IDH2 P48735 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC12A2 P55011 1/20 0.32
SLC12A5 Q9H2X9 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8078886 1.00 MEN1 (0.38) MEN1KMT2AHSD11B1DHFRHTT
SCHEMBL8081813 0.97 MEN1 (0.40) MEN1KMT2AHSD11B1DHFRHTT
SCHEMBL8069549 0.91 HTT (0.36) MEN1KMT2AHSD11B1HTTSMN1; SMN2
SCHEMBL8078914 0.91 HTT (0.36) MEN1KMT2AHSD11B1HTTSMN1; SMN2
SCHEMBL8319157 0.91 DHFR (0.39) MEN1KMT2AHSD11B1DHFRHTT
SCHEMBL8069546 0.87 LMNA (0.37) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8077242 0.87 LMNA (0.37) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8319788 0.87 LMNA (0.36) MEN1KMT2AHSD11B1DHFRHTT
SCHEMBL8078953 0.86 HSD11B1 (0.36) MEN1KMT2AHSD11B1HTTALDH1A1
SCHEMBL8645082 0.85 DHFR (0.36) MEN1KMT2AHSD11B1DHFRHTT

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-6106993-A HIGHLY SENSITIVE TO ACTINIC RADIATION SUCH AS DEEP-UV, ELECTRON BEAM AND X-RAY, CAN BE DEVELOPED WITH ALKALINE AQUEOUS SOLUTION TO FORM A PATTERN, AND IS THUS SUITABLE FOR USE IN A FINE PATTERNING TECHNIQUE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-22 US disclosed