SCHEMBL18705366

SCHEMBL18705366

O=C(O)COc1cc(OCC(=O)O)cc(C(=O)NCCNCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CAMK2B Q13554 1/20 0.46
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSAB1 Q15661 1/20 0.45
FOLH1 Q04609 7/20 0.45
PKM P14618 3/20 0.44
TDP1 Q9NUW8 5/20 0.43
MEN1 O00255 1/20 0.43
ABL1 P00519 1/20 0.43
LMNA P02545 1/20 0.43
IDE P14735 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
RIN1 Q13671 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL18705368 0.93 FOLH1 (0.46) CSNK2A2CSNK2BCSNK2A1CAMK2BF2
SCHEMBL18705334 0.90 F2 (0.48) CSNK2A2CSNK2BCSNK2A1CAMK2BF2
SCHEMBL20519904 0.86 FOLH1 (0.59) CSNK2A2CSNK2BCSNK2A1CAMK2BF2
SCHEMBL18705384 0.86 PRSS1 (0.48) CSNK2A2CSNK2BCSNK2A1CAMK2BF2
SCHEMBL18736240 0.85 FOLH1 (0.58) CSNK2A2CSNK2BCSNK2A1CAMK2BF2
SCHEMBL18736244 0.84 TDP1 (0.56) CSNK2A2CSNK2BCSNK2A1CAMK2BF2
SCHEMBL18705369 0.84 GIGYF2 (0.47) CSNK2A2CSNK2BCSNK2A1CAMK2BF2
SCHEMBL20519968 0.82 FOLH1 (0.60) CSNK2A2CSNK2BCSNK2A1CAMK2BF2
SCHEMBL23125939 0.81 TDP1 (0.51) CSNK2A2CSNK2BCSNK2A1CAMK2BF2
SCHEMBL18705346 0.81 TDP1 (0.53) CSNK2A2CSNK2BCSNK2A1CAMK2BF2

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
WO-2017060729-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2017-04-13 WO disclosed