SCHEMBL3420341

SCHEMBL3420341

CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(OC(C)C)cc3)cc2)SC1=S

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 8/20 0.60
PTPN1 P18031 6/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
BCL2L1 Q07817 1/20 0.58
MCL1 Q07820 1/20 0.58
BAK1 Q16611 1/20 0.58
ADAMTS5 Q9UNA0 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCL2L2 Q92843 4/20 0.50
BAD Q92934 3/20 0.48

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
SCHEMBL3420340 1.00 BCL2 (0.60) BCL2PTPN1MEN1KMT2ABCL2L1
SCHEMBL23847461 1.00 BCL2 (0.60) BCL2PTPN1MEN1KMT2ABCL2L1
SCHEMBL3420337 1.00 BCL2 (0.60) BCL2PTPN1MEN1KMT2ABCL2L1
SCHEMBL3421035 0.90 MCL1 (0.52) BCL2PTPN1MEN1KMT2ABCL2L1
SCHEMBL3421033 0.90 MCL1 (0.52) BCL2PTPN1MEN1KMT2ABCL2L1
SCHEMBL3421036 0.90 MCL1 (0.52) BCL2PTPN1MEN1KMT2ABCL2L1
SCHEMBL3420364 0.87 PTPN1 (0.51) BCL2PTPN1MEN1KMT2ABCL2L1
SCHEMBL3420358 0.87 PTPN1 (0.51) BCL2PTPN1MEN1KMT2ABCL2L1
SCHEMBL3420368 0.87 PTPN1 (0.51) BCL2PTPN1MEN1KMT2ABCL2L1
SCHEMBL3419383 0.87 BCL2 (0.55) BCL2PTPN1MEN1KMT2ABCL2L1

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