SCHEMBL29601882

SCHEMBL29601882

CCOC(=O)c1[nH]c2c(-c3cc(OC)cc(OCc4ccccc4)c3)cccc2c1CCCOc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.59
PRKCD Q05655 3/20 0.49
CAMK2B Q13554 3/20 0.49
CAMK2G Q13555 3/20 0.49
MARK3 P27448 2/20 0.49
AXL P30530 2/20 0.49
NEK4 P51957 2/20 0.49
CAMK2D Q13557 2/20 0.49
MARK2 Q7KZI7 2/20 0.49
PIM3 Q86V86 2/20 0.49
HIPK2 Q9H2X6 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
MAP3K20 Q9NYL2 2/20 0.49
MAP4K5 Q9Y4K4 2/20 0.49
EEF2K O00418 1/20 0.49
BCL6 P41182 1/20 0.49
PRKAA1 Q13131 1/20 0.49
ALB P02768 1/20 0.45
BCL2 P10415 1/20 0.45
AURKB Q96GD4 2/20 0.44

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
SCHEMBL19615197 1.00 MCL1 (0.59) MCL1PRKCDCAMK2BCAMK2GMARK3
SCHEMBL19615313 0.91 MCL1 (0.60) MCL1PRKCDCAMK2BCAMK2GMARK3
SCHEMBL4154169 0.82 MCL1 (0.78) MCL1PRKCDCAMK2BCAMK2GMARK3
SCHEMBL4154320 0.80 MCL1 (0.80) MCL1PRKCDCAMK2BCAMK2GMARK3
SCHEMBL19635896 0.80 MCL1 (0.66) MCL1PRKCDCAMK2BCAMK2GMARK3
SCHEMBL4173637 0.78 MCL1 (0.71) MCL1PRKCDCAMK2BCAMK2GMARK3
SCHEMBL24378190 0.78 MCL1 (0.51) MCL1PRKCDCAMK2BCAMK2GMARK3
SCHEMBL19615532 0.77 MCL1 (0.60) MCL1PRKCDCAMK2BCAMK2GMARK3
SCHEMBL4154105 0.77 MCL1 (0.77) MCL1PRKCDCAMK2BCAMK2GMARK3
SCHEMBL4158078 0.76 MCL1 (0.78) MCL1PRKCDCAMK2BCAMK2GMARK3

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
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed