SCHEMBL19178643

SCHEMBL19178643

O=C(O)Oc1[nH]c2c(CCCOc3cccc4ccccc34)cccc2c1CCCOc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.56
BCL2 P10415 4/20 0.55
ALB P02768 1/20 0.55
BCL2L1 Q07817 3/20 0.50
BAD Q92934 2/20 0.50
EEF2K O00418 1/20 0.47
MARK3 P27448 1/20 0.47
AXL P30530 1/20 0.47
BCL6 P41182 1/20 0.47
NEK4 P51957 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKAA1 Q13131 1/20 0.47
CAMK2B Q13554 1/20 0.47
CAMK2G Q13555 1/20 0.47
CAMK2D Q13557 1/20 0.47
MARK2 Q7KZI7 1/20 0.47
PIM3 Q86V86 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAP3K20 Q9NYL2 1/20 0.47

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
SCHEMBL19178732 0.94 MCL1 (0.54) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19178582 0.93 MCL1 (0.53) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19178680 0.92 MCL1 (0.55) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19180461 0.91 MCL1 (0.52) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19180487 0.90 MCL1 (0.54) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19179104 0.90 MCL1 (0.67) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19180529 0.90 MCL1 (0.57) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19178767 0.90 MCL1 (0.50) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19180467 0.89 MCL1 (0.52) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19180772 0.88 MCL1 (0.58) MCL1BCL2ALBBCL2L1BAD

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-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP claimed