SCHEMBL11250855

SCHEMBL11250855

CN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(N)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MCOLN3 Q8TDD5 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 2/20 0.48
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 3/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5474162 0.79 GAA (0.68) GAAALDH1A1MEN1KMT2AMCOLN3
SCHEMBL6551755 0.77 GAA (0.69) GAAALDH1A1MEN1KMT2AMCOLN3
SCHEMBL1008822 0.76 ALDH1A1 (0.79) GAAALDH1A1MEN1KMT2APKM
SCHEMBL1143286 0.75 ALDH1A1 (0.62) GAAALDH1A1MEN1KMT2AMCOLN3
SCHEMBL11714283 0.73 GAA (0.64) GAAALDH1A1MEN1KMT2AMCOLN3
SCHEMBL10696095 0.71 ALDH1A1 (0.55) GAAALDH1A1MEN1KMT2AMCOLN3
SCHEMBL10691315 0.69 ALDH1A1 (0.53) GAAALDH1A1KMT2AMCOLN3KDM4E
SCHEMBL5503768 0.68 GAA (0.54) GAAALDH1A1MEN1KMT2AMCOLN3
SCHEMBL4742374 0.68 ALDH1A1 (0.71) GAAALDH1A1MEN1KMT2AMCOLN3
SCHEMBL10692552 0.68 ALDH1A1 (0.51) GAAALDH1A1MEN1KMT2AL3MBTL1

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-4324722-A Water-soluble substituted aminocarbonyl monoazo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed