SCHEMBL3665622

SCHEMBL3665622

CN(CC[C@H](CSc1ccccc1)NNS(=O)(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 16/20 0.37
BCL2 P10415 13/20 0.36
BCL2L2 Q92843 3/20 0.36
MCL1 Q07820 1/20 0.36
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35

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
SCHEMBL3661884 0.89 BCL2L1 (0.45) BCL2L1BCL2BCL2L2MCL1NR3C1
SCHEMBL3662132 0.86 BCL2L1 (0.38) BCL2L1BCL2BCL2L2MCL1NR3C1
SCHEMBL3663695 0.85 BCL2L1 (0.38) BCL2L1BCL2BCL2L2MCL1NR3C1
SCHEMBL3661123 0.80 BCL2L1 (0.45) GAABCL2L1BCL2BCL2L2NR3C1
SCHEMBL3658782 0.79 BCL2L1 (0.51) BCL2L1BCL2BCL2L2
SCHEMBL3664203 0.77 BCL2L1 (0.46) BCL2L1BCL2
SCHEMBL3665619 0.76 BCL2L1 (0.46) BCL2L1BCL2BCL2L2MCL1
SCHEMBL2474108 0.72 BCL2L1 (0.55) BCL2L1BCL2BCL2L2
SCHEMBL6470751 0.67 ALDH1A1 (0.40) GAAHPGDBCL2L1NR3C1PGR
SCHEMBL30405268 0.67 ATM (0.41)

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