SCHEMBL13869863

SCHEMBL13869863

COc1cc(-c2nc3sc4c(c3c(=O)n2Cc2cccnc2)CCCC4)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 3/20 0.50
TP53 P04637 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
PRKCI P41743 1/20 0.46
PTGS2 P35354 2/20 0.46
POLB P06746 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL2924396 0.91 TP53 (0.58) CDKN1ATP53MEN1KMT2AMAPT
SCHEMBL2916406 0.88 MAPT (0.52) TP53MEN1KMT2AMAPTPRKCI
SCHEMBL13869866 0.86 SIRT2 (0.40) MEN1KMT2APOLBSIRT2SMN1; SMN2
SCHEMBL4068166 0.84 MAPT (0.55) CDKN1ATP53MEN1KMT2AMAPT
SCHEMBL2915153 0.82 NPC1 (0.60) CDKN1AMEN1KMT2AMAPTPTGS2
SCHEMBL2920423 0.81 CDKN1A (0.57) CDKN1ATP53MEN1KMT2AMAPT
SCHEMBL2926345 0.81 CDKN1A (0.56) CDKN1AMEN1KMT2AMAPTPTGS2
SCHEMBL2925650 0.80 CDKN1A (0.56) CDKN1AMEN1KMT2AMAPTPTGS2
SCHEMBL2923793 0.79 HSD11B1 (0.48) CDKN1ATP53MEN1KMT2AMAPT
SCHEMBL2925167 0.78 CDKN1A (0.54) CDKN1ATP53MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed