SCHEMBL19178564

SCHEMBL19178564

O=C(O)Oc1c(CCCOc2cccc3ccccc23)c2cccc(-c3ccccc3N3CCOCC3)c2n1Cc1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.54
ALB P02768 2/20 0.54
BCL2 P10415 6/20 0.44
BCL2L1 Q07817 2/20 0.44
BAD Q92934 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
SCHEMBL19178590 0.90 MCL1 (0.53) MCL1ALBBCL2BCL2L1
SCHEMBL4165201 0.90 MCL1 (0.65) MCL1ALBBCL2BCL2L1BAD
SCHEMBL19179113 0.90 MCL1 (0.54) MCL1ALBBCL2BCL2L1BAD
SCHEMBL19180475 0.90 MCL1 (0.52) MCL1ALBBCL2BCL2L1BAD
SCHEMBL19179232 0.89 MCL1 (0.53) MCL1ALBBCL2BCL2L1
SCHEMBL19178549 0.87 MCL1 (0.52) MCL1ALBBCL2BCL2L1
SCHEMBL19179107 0.87 MCL1 (0.53) MCL1ALBBCL2BCL2L1
SCHEMBL19179146 0.86 MCL1 (0.54) MCL1ALBBCL2BCL2L1
SCHEMBL4153871 0.80 MCL1 (0.64) MCL1ALBBCL2BCL2L1BAD
SCHEMBL4168892 0.80 MCL1 (0.64) MCL1ALBBCL2BCL2L1BAD

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