SCHEMBL13869866

SCHEMBL13869866

COc1cc(-c2nc3sc4c(c3c(=O)n2Cc2cccnc2)CCCC4O)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
HSD11B1 P28845 1/20 0.40
PDE4B Q07343 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 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
SCHEMBL2926656 0.91 HSD11B1 (0.48) HSD11B1PDE4BPDE4APDE4CPDE4D
SCHEMBL13869863 0.86 CDKN1A (0.50) SIRT2PDE4BNPC1POLBRAB9A
SCHEMBL2924396 0.76 TP53 (0.58) HSD11B1NPC1POLBRAB9AMEN1
SCHEMBL2923793 0.75 HSD11B1 (0.48) HSD11B1PDE4BPDE4APDE4CPDE4D
SCHEMBL2916406 0.74 MAPT (0.52) NPC1POLBRAB9ABLMMEN1
SCHEMBL3984885 0.73 MAPT (0.49) HSD11B1POLBMEN1KMT2A
SCHEMBL1820563 0.73 HSD11B1 (0.46) HSD11B1POLBHSD17B10MEN1KMT2A
SCHEMBL2925815 0.72 HSD11B1 (0.48) HSD11B1POLBRAB9ABLMHSD17B10
SCHEMBL1818757 0.70 HSD11B1 (0.47) HSD11B1HSD17B10MEN1KMT2ALMNA
SCHEMBL4068166 0.70 MAPT (0.55) POLBMEN1KMT2ALMNASMN1; SMN2

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
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