SCHEMBL4635255

SCHEMBL4635255

COc1cc2ccccc2cc1C=C1SC(Nc2ccc(CC(=O)NS(=O)(=O)c3ccc(C)cc3)cc2)=NC1=O.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.48
ERBB2 P04626 8/20 0.42
ALOX5 P09917 2/20 0.38
KMT2A Q03164 5/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 4/20 0.37
NSD2 O96028 1/20 0.37
USP2 O75604 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL4635253 1.00 EGFR (0.48) EGFRERBB2ALOX5KMT2APOLB
SCHEMBL4635258 0.99 EGFR (0.48) EGFRERBB2ALOX5KMT2APOLB
SCHEMBL4634394 0.93 EGFR (0.42) EGFRERBB2KMT2ALMNAMAPT
SCHEMBL4634397 0.93 EGFR (0.42) EGFRERBB2KMT2ALMNAMAPT
SCHEMBL4634400 0.92 EGFR (0.43) EGFRERBB2KMT2ALMNAMAPT
SCHEMBL4133774 0.91 EGFR (0.41) EGFRERBB2KMT2ALMNAMAPT
SCHEMBL4133773 0.91 EGFR (0.41) EGFRERBB2KMT2ALMNAMAPT
SCHEMBL4128340 0.90 EGFR (0.42) EGFRERBB2KMT2ALMNAMAPT
SCHEMBL4128343 0.90 EGFR (0.42) EGFRERBB2KMT2ALMNAMAPT
SCHEMBL4133775 0.90 EGFR (0.42) EGFRERBB2KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP disclosed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO disclosed