SCHEMBL19178581

SCHEMBL19178581

O=C(O)Oc1[nH]c2c(-c3cc(C(=O)O)ccc3Cl)cccc2c1CCCOc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 17/20 0.59
BCL2 P10415 4/20 0.51
BCL2L1 Q07817 3/20 0.51
ALB P02768 1/20 0.50
PRKCD Q05655 4/20 0.49
CAMK2B Q13554 4/20 0.49
CAMK2G Q13555 4/20 0.49
AURKB Q96GD4 3/20 0.49
NEK4 P51957 3/20 0.49
CAMK2D Q13557 3/20 0.49
HIPK2 Q9H2X6 3/20 0.49
MAP3K20 Q9NYL2 3/20 0.49
MAP4K5 Q9Y4K4 3/20 0.49
MARK3 P27448 2/20 0.49
AXL P30530 2/20 0.49
MARK2 Q7KZI7 2/20 0.49
PIM3 Q86V86 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
EEF2K O00418 1/20 0.49
BCL6 P41182 1/20 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
SCHEMBL19180767 0.91 MCL1 (0.58) MCL1BCL2BCL2L1ALBPRKCD
SCHEMBL19179304 0.90 MCL1 (0.63) MCL1BCL2BCL2L1ALBPRKCD
SCHEMBL4153905 0.89 MCL1 (0.74) MCL1BCL2BCL2L1ALBPRKCD
SCHEMBL19180787 0.89 MCL1 (0.58) MCL1BCL2BCL2L1ALBPRKCD
SCHEMBL19179194 0.89 MCL1 (0.65) MCL1BCL2BCL2L1ALBPRKCD
SCHEMBL19179104 0.88 MCL1 (0.67) MCL1BCL2BCL2L1ALBPRKCD
SCHEMBL19178613 0.87 MCL1 (0.66) MCL1BCL2BCL2L1ALBPRKCD
SCHEMBL19179314 0.87 MCL1 (0.68) MCL1BCL2BCL2L1ALBPRKCD
SCHEMBL19178728 0.87 MCL1 (0.59) MCL1BCL2BCL2L1ALBPRKCD
SCHEMBL19180421 0.86 MCL1 (0.65) MCL1BCL2BCL2L1ALBPRKCD

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