SCHEMBL7014022

SCHEMBL7014022

Cn1c(SCc2ccc(C(=O)c3ccc(Cl)nc3)cc2)nc2ccc(O)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL7014397 0.89 MAPT (0.50) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7020177 0.85 MAPT (0.54) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7012409 0.84 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7011327 0.83 MEN1 (0.47) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7013210 0.82 MEN1 (0.53) MEN1KMT2ATDP1MAPTTP53
SCHEMBL7011008 0.81 SMN1; SMN2 (0.62) MEN1KMT2ARXFP1SMN1; SMN2ALDH1A1
SCHEMBL7019775 0.80 MEN1 (0.58) MEN1KMT2ATDP1MAPTTP53
SCHEMBL7010485 0.80 MEN1 (0.46) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL8649589 0.79 MEN1 (0.43) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7017207 0.77 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed