SCHEMBL5079264

SCHEMBL5079264

O=C(O)c1csc(C2CCN(c3ncnc4ccsc34)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
HTR2C P28335 1/20 0.49
KIT P10721 2/20 0.45
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
ADRB3 P13945 3/20 0.45
CAMKK1 Q8N5S9 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
PDE4D Q08499 2/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
NR2F2 P24468 2/20 0.39
STAT3 P40763 2/20 0.39
PTGER1 P34995 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.36
SIRT1 Q96EB6 2/20 0.36
SIRT3 Q9NTG7 2/20 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
SCHEMBL460244 0.91 NFKB1 (0.58) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL5262815 0.80 NFKB1 (0.52) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL13908867 0.78 NFKB1 (0.81) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL2139370 0.77 NFKB1 (1.00) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL2136321 0.77 NFKB1 (0.89) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL2139019 0.77 NFKB1 (0.59) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL14050931 0.76 NFKB1 (0.67) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL16766424 0.76 NFKB1 (0.70) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL23579666 0.75 ADRB2 (0.57) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL2139575 0.74 NFKB1 (0.87) NFKB1NFKB2RELAHTR2CKIT

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-1977759-A1 Pharmaceutical composition comprising a cytokine 4SC AG (DE) 2008-10-08 EP disclosed