SCHEMBL7210784

SCHEMBL7210784

CCCCN(C(C)CC)S(=O)(=O)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 4/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 3/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 2/20 0.39
NR1H3 Q13133 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 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
SCHEMBL1169042 0.83 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2TSHRLMNA
SCHEMBL7212010 0.78 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2TSHRLMNA
SCHEMBL5512141 0.77 TDP1 (0.61) SMN1; SMN2TSHRMAPTHTTESR2
SCHEMBL7260199 0.74 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2TSHRLMNA
SCHEMBL5282738 0.69 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2TSHRLMNA
SCHEMBL28830618 0.68 NR1H3 (0.46) ALDH1A1HPGDSMN1; SMN2TSHRLMNA
SCHEMBL12077803 0.67 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2TSHRHSD17B10
SCHEMBL7652738 0.67 ESR1 (0.55) ALDH1A1HPGDSMN1; SMN2TSHRLMNA
SCHEMBL5504401 0.67 CNR2 (0.50) TDP1KDM4E
SCHEMBL7885963 0.66 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2TSHRLMNA

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-6610734-B2 For therapy of Alzheimer's Disease and Down's syndrome WYETH 2003-08-26 US disclosed