SCHEMBL6208769

SCHEMBL6208769

CNc1nc(SC)ncc1CCCl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SYK P43405 1/20 0.32
FYN P06241 1/20 0.31
MAPT P10636 3/20 0.30
AHR P35869 1/20 0.30
FOS P01100 1/20 0.30
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL29541506 0.87 LMNA (0.39) LMNAKDM4EHTTSMN1; SMN2MEN1
SCHEMBL1521534 0.87 LMNA (0.39) LMNAKDM4EHTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL3582648 0.85 LMNA (0.38) LMNAKDM4EHTTSMN1; SMN2MEN1
SCHEMBL6207973 0.84 HTT (0.41) LMNAKDM4EHTTSMN1; SMN2MEN1
SCHEMBL16134092 0.81 LMNA (0.40) LMNAKDM4EHTTSMN1; SMN2MEN1
SCHEMBL1521589 0.80 HTT (0.51) LMNAKDM4EHTTSMN1; SMN2MEN1
SCHEMBL30346051 0.80 LMNA (0.39) LMNAKDM4EHTTSMN1; SMN2MEN1
SCHEMBL3965244 0.80 LMNA (0.39) LMNAKDM4EHTTSMN1; SMN2MEN1
SCHEMBL3820985 0.77 HTT (0.49) LMNAKDM4EHTTSMN1; SMN2MEN1
Lithium Ion SCHEMBL3820982 0.76 HTT (0.48) LMNAKDM4EHTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560829-A1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
WO-2004041821-A1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed