SCHEMBL9754537

SCHEMBL9754537

O=C(O)c1cc2cc3oc4ccc(CO)cc4c3cc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.62
CSNK2A1 P68400 5/20 0.62
CSNK2A2 P19784 4/20 0.62
CSNK2B P67870 4/20 0.62
CSNK2A3 Q8NEV1 4/20 0.62
CA12 O43570 2/20 0.49
CA2 P00918 2/20 0.49
CA3 P07451 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA5B Q9Y2D0 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CA1 P00915 1/20 0.49
KDM4E B2RXH2 3/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 2/20 0.49

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
SCHEMBL9754470 0.82 PIM1 (0.63) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL9843493 0.82 CA12 (0.55) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL9754456 0.81 PIM1 (0.63) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL9754499 0.78 PIM1 (0.58) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL9754544 0.77 PIM1 (0.51) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL9754475 0.75 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL5557680 0.71 LMNA (0.63) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL21697981 0.70 LMNA (0.67) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6239973 0.70 PIM1 (0.60) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL2966131 0.70 CYP1A2 (0.60) CA12CA2CA3CA4CA6

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
WO-1991014688-A1 HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-03 WO disclosed
EP-0447703-A1 Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-25 EP disclosed