SCHEMBL11269372

SCHEMBL11269372

COc1cnc(NC(=O)NS(=O)(=O)c2ccccc2CO)nc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
FBP1 P09467 2/20 0.38
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CCR4 P51679 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11301926 0.87 KDM4E (0.38) KDM4ENPC1ALDH1A1MAPTCA12
SCHEMBL10968069 0.86 CA2 (0.43) KDM4ENPC1ALDH1A1MAPTCA12
SCHEMBL11124612 0.80 ALDH1A1 (0.50) KDM4ENPC1ALDH1A1MAPTCA12
SCHEMBL11249415 0.80 MMP2 (0.42) KDM4ENPC1ALDH1A1MAPTCA12
SCHEMBL11124125 0.79 GAA (0.58) KDM4ENPC1ALDH1A1MAPTGAA
SCHEMBL9863318 0.78 LMNA (0.40) NPC1ALDH1A1MAPTLMNAHDAC3
SCHEMBL11122289 0.77 ALDH1A1 (0.47) KDM4ENPC1ALDH1A1MAPTCA12
SCHEMBL11123789 0.76 KDM4E (0.45) KDM4ENPC1ALDH1A1MAPTCA12
SCHEMBL11125345 0.76 TSHR (0.52) KDM4ENPC1ALDH1A1MAPTGAA
SCHEMBL11123787 0.75 LMNA (0.48) KDM4ENPC1ALDH1A1MAPTLMNA

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-4332611-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-06-01 US disclosed