SCHEMBL7399985

SCHEMBL7399985

O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2OCc2ccc(Cl)cc2)SC1=S

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 9/20 0.78
KMT2A Q03164 9/20 0.78
MEN1 O00255 8/20 0.78
GFER P55789 2/20 0.74
PLA2G1B P04054 1/20 0.74
DNMT1 P26358 1/20 0.74
ATG4B Q9Y4P1 1/20 0.74
USP2 O75604 1/20 0.63
NCOA1 Q15788 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
NCOA3 Q9Y6Q9 1/20 0.63
PTPN1 P18031 3/20 0.61
MMP3 P08254 2/20 0.61
AKR1B1 P15121 2/20 0.61
MMP13 P45452 2/20 0.61
NSD2 O96028 1/20 0.61
ADAMTS5 Q9UNA0 1/20 0.58

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
SCHEMBL7145580 1.00 POLB (0.78) POLBKMT2AMEN1GFERPLA2G1B
SCHEMBL7145492 0.94 POLB (0.81) POLBKMT2AMEN1GFERPLA2G1B
SCHEMBL7145495 0.94 POLB (0.81) POLBKMT2AMEN1GFERPLA2G1B
SCHEMBL7147356 0.92 PTPN1 (0.73) POLBKMT2AMEN1GFERPTPN1
SCHEMBL7149394 0.91 POLB (0.73) POLBKMT2AMEN1GFERPLA2G1B
SCHEMBL7149398 0.91 POLB (0.73) POLBKMT2AMEN1GFERPLA2G1B
SCHEMBL7144808 0.91 MEN1 (0.65) POLBKMT2AMEN1GFERPLA2G1B
SCHEMBL7398219 0.91 MEN1 (0.65) POLBKMT2AMEN1GFERPLA2G1B
SCHEMBL7144366 0.91 MEN1 (0.65) POLBKMT2AMEN1GFERPLA2G1B
SCHEMBL7144369 0.91 MEN1 (0.65) POLBKMT2AMEN1GFERPLA2G1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189894-A1 THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2002-03-27 EP disclosed
WO-2001057006-A1 THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2001-08-09 WO disclosed