SCHEMBL5977847

SCHEMBL5977847

O=C(O)C(=O)CC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.62
HDAC6 Q9UBN7 1/20 0.56
ERCC5 P28715 7/20 0.51
FEN1 P39748 7/20 0.51
PTPN1 P18031 1/20 0.51
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49

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
SCHEMBL5266327 0.87 PKM (0.60) PKMHDAC6TUBB4ATUBBTUBA3C
SCHEMBL5268313 0.83 PKM (0.56) PKMHDAC6TUBB4ATUBBTUBA3C
SCHEMBL4780674 0.82 PKM (0.70) PKMHDAC6TUBB4ATUBBTUBA3C
SCHEMBL1516211 0.81 PKM (0.64) PKMHDAC6TUBB4ATUBBTUBA3C
SCHEMBL18250062 0.79 PKM (0.61) PKMHDAC6TUBB4ATUBBTUBA3C
SCHEMBL1366438 0.77 PKM (1.00) PKMHDAC6TUBB4ATUBBTUBA3C
SCHEMBL12282858 0.75 PKM (0.52) PKMHDAC6TUBB4ATUBBTUBA3C
SCHEMBL9590857 0.75 PKM (0.68) PKMHDAC6TUBB4ATUBBTUBA3C
SCHEMBL5899359 0.74 PKM (0.62) PKMHDAC6TUBB4ATUBBTUBA3C
SCHEMBL5899360 0.74 PKM (0.62) PKMHDAC6TUBB4ATUBBTUBA3C

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
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed