SCHEMBL4733878

SCHEMBL4733878

NS(=O)(=O)c1ccccc1N[C@H](CCN1CCCCC1)CSc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 14/20 0.59
BCL2 P10415 13/20 0.40
BCL2L2 Q92843 6/20 0.40
MCL1 Q07820 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL4731200 0.90 BCL2L1 (0.57) BCL2L1BCL2BCL2L2MCL1CA1
SCHEMBL31570836 0.83 BCL2L1 (0.85) BCL2L1BCL2
SCHEMBL30405101 0.83 BCL2L1 (0.85) BCL2L1BCL2
SCHEMBL3658781 0.82 BCL2L1 (0.63) BCL2L1BCL2
SCHEMBL24633503 0.82 BCL2L1 (0.87) BCL2L1BCL2
SCHEMBL22879158 0.82 BCL2L1 (0.87) BCL2L1BCL2
SCHEMBL29424547 0.82 BCL2L1 (0.87) BCL2L1BCL2
SCHEMBL3823004 0.80 BCL2L1 (0.69) BCL2L1BCL2BCL2L2MCL1
SCHEMBL3822342 0.80 BCL2L1 (0.69) BCL2L1BCL2BCL2L2MCL1
SCHEMBL4747130 0.80 BCL2L1 (0.69) BCL2L1BCL2BCL2L2MCL1

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
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