SCHEMBL3422241

SCHEMBL3422241

CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(OC(C)C)c(Cl)c3)cc2)SC1=S

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.64
BCL2L2 Q92843 1/20 0.64
PTPN1 P18031 10/20 0.58
MCL1 Q07820 5/20 0.51
MAPT P10636 2/20 0.50
PLA2G1B P04054 1/20 0.50
POLB P06746 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CRHBP P24387 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHR2 Q13324 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL3422245 1.00 BCL2 (0.64) BCL2BCL2L2PTPN1MCL1MAPT
SCHEMBL3422251 1.00 BCL2 (0.64) BCL2BCL2L2PTPN1MCL1MAPT
SCHEMBL3422248 1.00 BCL2 (0.64) BCL2BCL2L2PTPN1MCL1MAPT
SCHEMBL3425202 0.90 MCL1 (0.62) BCL2BCL2L2PTPN1MCL1MAPT
SCHEMBL3424057 0.87 PTPN1 (0.59) BCL2BCL2L2PTPN1MCL1MAPT
SCHEMBL3424048 0.87 PTPN1 (0.59) BCL2BCL2L2PTPN1MCL1MAPT
SCHEMBL3424051 0.87 PTPN1 (0.59) BCL2BCL2L2PTPN1MCL1MAPT
SCHEMBL3424054 0.87 PTPN1 (0.59) BCL2BCL2L2PTPN1MCL1MAPT
SCHEMBL19420064 0.87 BCL2 (0.68) BCL2BCL2L2PTPN1MCL1MAPT
SCHEMBL3419381 0.87 BCL2 (0.55) BCL2BCL2L2PTPN1MCL1MAPT

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