SCHEMBL20522169

SCHEMBL20522169

Cc1nn(C)c(CO)c1-c1c(Cl)ccc2c(CCCO)c(C(=O)O)n(C)c12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 8/20 0.46
BCL2L1 Q07817 6/20 0.46
BAD Q92934 6/20 0.41
MCL1 Q07820 12/20 0.39
PMAIP1 Q13794 2/20 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
SCHEMBL20521826 0.88 BCL2 (0.45) BCL2BCL2L1BADMCL1PMAIP1
SCHEMBL20522054 0.87 BCL2 (0.47) BCL2BCL2L1BADMCL1PMAIP1
SCHEMBL20521541 0.84 BCL2L1 (0.46) BCL2BCL2L1BADMCL1PMAIP1
SCHEMBL24415765 0.80 BCL2 (0.42) BCL2BCL2L1BADMCL1
SCHEMBL20521958 0.79 BCL2 (0.46) BCL2BCL2L1BADMCL1PMAIP1
SCHEMBL20521806 0.78 BAD (0.42) BCL2BCL2L1BAD
SCHEMBL30000640 0.75 BCL2 (0.75) BCL2BCL2L1MCL1
SCHEMBL17113159 0.75 BCL2 (0.75) BCL2BCL2L1MCL1
SCHEMBL20521654 0.74 BCL2L1 (0.45) BCL2BCL2L1BADMCL1PMAIP1
SCHEMBL20521693 0.74 BCL2 (0.44) BCL2BCL2L1BADMCL1

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