SCHEMBL4775747

SCHEMBL4775747

O=C1N=C(NCCc2cccc(Cl)c2)SC1=Cc1cccc2cccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 4/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CSNK2A2 P19784 2/20 0.36
CSNK2A1 P68400 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GRM4 Q14833 1/20 0.36
CCR6 P51684 1/20 0.36
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2789887 0.85 DYRK3 (0.46) GPR84POLBLMNAHDAC3HDAC1
SCHEMBL2789886 0.85 DYRK3 (0.46) GPR84POLBLMNAHDAC3HDAC1
SCHEMBL4772646 0.81 KMT2A (0.52) KMT2A
SCHEMBL4768062 0.73 DYRK3 (0.38) POLBKMT2AMEN1SMN1; SMN2BACE1
SCHEMBL4770645 0.73 NEK2 (0.39)
SCHEMBL5570153 0.72 CISD1 (0.40) GPR84LMNAKMT2ARPS6KB1CSNK2A2
SCHEMBL5570152 0.72 CISD1 (0.40) GPR84LMNAKMT2ARPS6KB1CSNK2A2
SCHEMBL4867626 0.72 ALOX5 (0.43) CSNK2A2CSNK2A1RAB9A
SCHEMBL4871649 0.72 PIK3CD (0.45) POLBLMNAHDAC1HDAC6CSNK2A2
SCHEMBL4928228 0.72 GSK3B (0.47) GPR84KMT2ARPS6KB1CSNK2A2CSNK2A1

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-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed