SCHEMBL5579264

SCHEMBL5579264

CCOC(=O)Oc1ccc2c(c1)SCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
CA2 P00918 1/20 0.41
MEN1 O00255 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
KDM4E B2RXH2 4/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 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
SCHEMBL5579263 0.73 KMT2A (0.45) KMT2ACA2MEN1POLBL3MBTL1
SCHEMBL6451238 0.72 ALDH1A1 (0.55) KMT2ACA2MEN1POLBL3MBTL1
SCHEMBL7303827 0.71 MTNR1A (0.45) KMT2ACA2MEN1POLBL3MBTL1
SCHEMBL8421941 0.70 KMT2A (0.56) KMT2ACA2MEN1POLBL3MBTL1
SCHEMBL10344222 0.69 KMT2A (0.51) KMT2ACA2MEN1POLBL3MBTL1
SCHEMBL10344224 0.67 KMT2A (0.54) KMT2ACA2MEN1POLBL3MBTL1
SCHEMBL18272440 0.67 KMT2A (0.50) KMT2ACA2MEN1POLBL3MBTL1
SCHEMBL1598705 0.67 LMNA (0.57) KMT2ACA2MEN1POLBL3MBTL1
SCHEMBL6891449 0.67 POLB (0.50) KMT2ACA2MEN1POLBL3MBTL1
SCHEMBL15911961 0.66 PARP1 (0.41) KMT2AMEN1L3MBTL1TUBB4ATUBB

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-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US disclosed