SCHEMBL19178590

SCHEMBL19178590

O=C(O)Oc1c(CCCOc2cccc3ccccc23)c2cccc(-c3ccccc3N3CCOCC3)c2n1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.53
ALB P02768 2/20 0.53
BCL2 P10415 5/20 0.44
BCL2L1 Q07817 1/20 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
SCHEMBL19178549 0.94 MCL1 (0.52) MCL1ALBBCL2BCL2L1
SCHEMBL19179113 0.93 MCL1 (0.54) MCL1ALBBCL2BCL2L1
SCHEMBL19180475 0.92 MCL1 (0.52) MCL1ALBBCL2BCL2L1
SCHEMBL19179232 0.91 MCL1 (0.53) MCL1ALBBCL2BCL2L1
SCHEMBL19178564 0.90 MCL1 (0.54) MCL1ALBBCL2BCL2L1
SCHEMBL4153871 0.90 MCL1 (0.64) MCL1ALBBCL2BCL2L1
SCHEMBL19179107 0.89 MCL1 (0.53) MCL1ALBBCL2BCL2L1
SCHEMBL19179146 0.85 MCL1 (0.54) MCL1ALBBCL2BCL2L1
SCHEMBL19178603 0.85 MCL1 (0.55) MCL1ALBBCL2
SCHEMBL4158589 0.84 MCL1 (0.62) MCL1ALBBCL2BCL2L1

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