SCHEMBL20522228

SCHEMBL20522228

CN(C)S(=O)(=O)N1CCN(c2ccc(OCc3nn(C)c(CO)c3-c3c(Cl)ccc4c(CCCO)c(C(=O)O)n(C)c34)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.51
BCL2 P10415 5/20 0.49
BCL2L1 Q07817 4/20 0.37
PMAIP1 Q13794 1/20 0.36
BAD Q92934 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20521727 0.95 MCL1 (0.55) MCL1BCL2BCL2L1PMAIP1BAD
SCHEMBL20521562 0.94 MCL1 (0.47) MCL1BCL2BCL2L1MEN1KMT2A
SCHEMBL20521844 0.90 MCL1 (0.50) MCL1BCL2BCL2L1MEN1KMT2A
SCHEMBL20521731 0.85 MCL1 (0.46) MCL1BCL2BCL2L1BADMEN1
SCHEMBL20521751 0.85 MCL1 (0.54) MCL1BCL2BCL2L1PMAIP1BAD
SCHEMBL20521921 0.80 MCL1 (0.50) MCL1BCL2BCL2L1PMAIP1MEN1
SCHEMBL19635340 0.76 MEN1 (0.45) MCL1BCL2MEN1KMT2A
SCHEMBL20522169 0.75 BCL2 (0.46) MCL1BCL2BCL2L1PMAIP1BAD
SCHEMBL20521806 0.73 BAD (0.42) BCL2BCL2L1BAD
SCHEMBL19615367 0.73 MEN1 (0.44) MCL1BCL2MEN1KMT2A

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-2018178226-A1 MCL-1 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2018-10-04 WO disclosed