SCHEMBL4666500

SCHEMBL4666500

Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC3=NC(=O)C(=C(I)c4ccc(C)c(-n5cccc5)c4)S3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.40
ERBB2 P04626 8/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 4/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 1/20 0.33
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL4127446 0.83 EGFR (0.41) EGFRERBB2MEN1KMT2AADRB2
SCHEMBL4127445 0.77 EGFR (0.45) EGFRERBB2MEN1KMT2AADRB2
SCHEMBL4120978 0.76 EGFR (0.48) EGFRERBB2MEN1KMT2AADRB2
SCHEMBL4120979 0.76 EGFR (0.48) EGFRERBB2MEN1KMT2AADRB2
SCHEMBL4138368 0.73 EGFR (0.42) EGFRERBB2MEN1KMT2AADRB2
SCHEMBL4138363 0.73 EGFR (0.42) EGFRERBB2MEN1KMT2AADRB2
SCHEMBL4122971 0.69 EGFR (0.45) EGFRERBB2MEN1KMT2AADRB2
SCHEMBL4137534 0.69 ALOX5 (0.52) EGFRERBB2MEN1KMT2A
SCHEMBL4137539 0.69 ALOX5 (0.52) EGFRERBB2MEN1KMT2A
SCHEMBL4139742 0.69 EGFR (0.45) EGFRERBB2MEN1KMT2AADRB2

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-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