SCHEMBL19178697

SCHEMBL19178697

CCCc1ccccc1Nc1cccc2c(CCCOc3cccc4ccccc34)c(OC(=O)O)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.51
BCL2 P10415 4/20 0.48
ALB P02768 1/20 0.48
NEK4 P51957 2/20 0.44
PRKCD Q05655 2/20 0.44
CAMK2B Q13554 2/20 0.44
CAMK2G Q13555 2/20 0.44
CAMK2D Q13557 2/20 0.44
HIPK2 Q9H2X6 2/20 0.44
MAP3K20 Q9NYL2 2/20 0.44
MAP4K5 Q9Y4K4 2/20 0.44
EEF2K O00418 1/20 0.44
MARK3 P27448 1/20 0.44
AXL P30530 1/20 0.44
BCL6 P41182 1/20 0.44
PRKAA1 Q13131 1/20 0.44
MARK2 Q7KZI7 1/20 0.44
PIM3 Q86V86 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
BCL2L1 Q07817 3/20 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
SCHEMBL19180302 0.95 MCL1 (0.52) MCL1BCL2ALBNEK4PRKCD
SCHEMBL19180413 0.90 MCL1 (0.51) MCL1BCL2ALBNEK4PRKCD
SCHEMBL4172071 0.88 MCL1 (0.66) MCL1BCL2ALBNEK4PRKCD
SCHEMBL19178846 0.87 MCL1 (0.55) MCL1BCL2ALBNEK4PRKCD
SCHEMBL19178871 0.87 MCL1 (0.54) MCL1BCL2ALBNEK4PRKCD
SCHEMBL19180452 0.86 MCL1 (0.51) MCL1BCL2ALBNEK4PRKCD
SCHEMBL19180459 0.86 MCL1 (0.63) MCL1BCL2ALBNEK4PRKCD
SCHEMBL19178643 0.84 MCL1 (0.56) MCL1BCL2ALBNEK4PRKCD
SCHEMBL19178551 0.84 MCL1 (0.49) MCL1BCL2ALBNEK4PRKCD
SCHEMBL4160540 0.83 MCL1 (0.68) MCL1BCL2ALBNEK4PRKCD

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