SCHEMBL3421035

SCHEMBL3421035

CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(OC(C)C)cc3)nc2)SC1=S

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.52
BAK1 Q16611 3/20 0.52
BCL2 P10415 7/20 0.51
BCL2L1 Q07817 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PTPN1 P18031 4/20 0.48
ADAMTS5 Q9UNA0 2/20 0.47
BCL2L2 Q92843 4/20 0.44
BAD Q92934 3/20 0.44
MAPT P10636 3/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MITF O75030 1/20 0.42
RAB9A P51151 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL3421033 1.00 MCL1 (0.52) MCL1BAK1BCL2BCL2L1MEN1
SCHEMBL3421036 1.00 MCL1 (0.52) MCL1BAK1BCL2BCL2L1MEN1
SCHEMBL3420337 0.90 BCL2 (0.60) MCL1BAK1BCL2BCL2L1MEN1
SCHEMBL3420340 0.90 BCL2 (0.60) MCL1BAK1BCL2BCL2L1MEN1
SCHEMBL3420341 0.90 BCL2 (0.60) MCL1BAK1BCL2BCL2L1MEN1
SCHEMBL23847461 0.90 BCL2 (0.60) MCL1BAK1BCL2BCL2L1MEN1
SCHEMBL3422932 0.87 MCL1 (0.56) MCL1BAK1BCL2BCL2L1MEN1
SCHEMBL3422944 0.87 MCL1 (0.56) MCL1BAK1BCL2BCL2L1MEN1
SCHEMBL3422938 0.87 MCL1 (0.56) MCL1BAK1BCL2BCL2L1MEN1
SCHEMBL3420368 0.85 PTPN1 (0.51) MCL1BAK1BCL2BCL2L1MEN1

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-2010024783-A1 BIARYLRHODANINE AND PYRIDYLRHODANINE COMPOUNDS AND THEIR USE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-03-04 WO disclosed