SCHEMBL1954745

SCHEMBL1954745

CN(C)C(CCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2)cc1S(=O)(=O)C(F)(F)Cl)CSc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 17/20 0.76
▸ BCL2 P10415 16/20 0.76
▸ BCL2L2 Q92843 2/20 0.76
▸ BAD Q92934 4/20 0.66
▸ BCL2L11 O43521 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ MCL1 Q07820 1/20 0.66
▸ ASPH Q12797 1/20 0.66

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
SCHEMBL1958119 0.96 BCL2L1 (0.75) BCL2L1BCL2BCL2L2BADBCL2L11
SCHEMBL4735907 0.96 BCL2 (0.70) BCL2L1BCL2BCL2L2BADBCL2L11
SCHEMBL19244593 0.92 BCL2 (0.76) BCL2L1BCL2BCL2L2BADBCL2L11
SCHEMBL1954118 0.92 BCL2 (0.69) BCL2L1BCL2BCL2L2BADBCL2L11
SCHEMBL4735633 0.91 BCL2L1 (0.80) BCL2L1BCL2BCL2L2BADBCL2L11
SCHEMBL1958117 0.89 BCL2L1 (0.86) BCL2L1BCL2BCL2L2BADBCL2L11
SCHEMBL1954744 0.89 BCL2L1 (0.86) BCL2L1BCL2BCL2L2BADBCL2L11
SCHEMBL1954932 0.87 BCL2L1 (0.93) BCL2L1BCL2BCL2L2BADBCL2L11
SCHEMBL4735659 0.87 BCL2 (0.73) BCL2L1BCL2BCL2L2BADBCL2L11
SCHEMBL2081160 0.87 BCL2L1 (1.00) BCL2L1BCL2BCL2L2BADBCL2L11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2506853-A1 COMBINATION THERAPY FOR TREATING CANCER AND DIAGNOSTIC ASSAYS FOR USE THEREIN Abbott Laboratories (US) 2012-10-10 — — EP disclosed
WO-2011068863-A1 COMBINATION THERAPY FOR TREATING CANCER AND DIAGNOSTIC ASSAYS FOR USE THEREIN ABBOTT LABORATORIES (US) 2011-06-09 — — WO disclosed
WO-2008064116-A2 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2008-05-29 — — WO disclosed
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