SCHEMBL3661881

SCHEMBL3661881

CN(C)CC[C@H](CSc1ccccc1)Nc1c(S(N)(=O)=O)cccc1S(=O)(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 18/20 0.52
BCL2 P10415 13/20 0.39
BCL2L2 Q92843 4/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL3662130 0.91 BCL2L1 (0.47) BCL2L1BCL2BCL2L2MCL1
SCHEMBL3663692 0.90 BCL2L1 (0.47) BCL2L1BCL2BCL2L2MCL1
SCHEMBL3665619 0.89 BCL2L1 (0.46) BCL2L1BCL2BCL2L2MCL1
SCHEMBL3661122 0.88 BCL2L1 (0.52) BCL2L1BCL2BCL2L2
SCHEMBL15513466 0.83 BCL2L1 (0.69) BCL2L1BCL2BCL2L2MCL1
SCHEMBL29424556 0.83 BCL2L1 (0.69) BCL2L1BCL2BCL2L2MCL1
SCHEMBL2687025 0.83 BCL2L1 (0.69) BCL2L1BCL2BCL2L2MCL1
SCHEMBL3658781 0.82 BCL2L1 (0.63) BCL2L1BCL2
SCHEMBL28873438 0.81 BCL2L1 (0.69) BCL2L1BCL2BCL2L2
SCHEMBL2474106 0.81 BCL2L1 (0.69) BCL2L1BCL2BCL2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231159-A1 METHOD OF TREATING ARTHRITIS Abbott Laboratories (US) 2010-09-29 EP disclosed
WO-2009064938-A1 METHOD OF TREATING ARTHRITIS ABBOTT LABORATORIES (US) 2009-05-22 WO disclosed