SCHEMBL10459906

SCHEMBL10459906

CCOC(=O)COc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR2 P34972 1/20 0.41
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL10460005 0.95 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL10972119 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL10382723 0.85 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL10458248 0.85 MAPT (0.52) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL10459499 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL10755688 0.83 MAPT (0.50) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL54807 0.83 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL29373703 0.83 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL8535445 0.83 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL11088562 0.83 ALDH1A1 (0.57) ALDH1A1KDM4ENPC1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4978383-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1990-12-18 US claimed
US-4978383-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1990-12-18 US disclosed