SCHEMBL3419381

SCHEMBL3419381

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.55
PTPN1 P18031 9/20 0.54
ADAMTS5 Q9UNA0 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
BCL2L1 Q07817 1/20 0.52
MCL1 Q07820 1/20 0.52
BAK1 Q16611 1/20 0.52
BCL2L2 Q92843 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL3419383 1.00 BCL2 (0.55) BCL2PTPN1ADAMTS5MEN1KMT2A
SCHEMBL3419387 1.00 BCL2 (0.55) BCL2PTPN1ADAMTS5MEN1KMT2A
SCHEMBL3422944 0.90 MCL1 (0.56) BCL2PTPN1ADAMTS5MEN1KMT2A
SCHEMBL3422932 0.90 MCL1 (0.56) BCL2PTPN1ADAMTS5MEN1KMT2A
SCHEMBL3422938 0.90 MCL1 (0.56) BCL2PTPN1ADAMTS5MEN1KMT2A
SCHEMBL3422241 0.87 BCL2 (0.64) BCL2PTPN1MEN1KMT2AMCL1
SCHEMBL3422248 0.87 BCL2 (0.64) BCL2PTPN1MEN1KMT2AMCL1
SCHEMBL3422245 0.87 BCL2 (0.64) BCL2PTPN1MEN1KMT2AMCL1
SCHEMBL3422251 0.87 BCL2 (0.64) BCL2PTPN1MEN1KMT2AMCL1
SCHEMBL23847461 0.87 BCL2 (0.60) BCL2PTPN1ADAMTS5MEN1KMT2A

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