SCHEMBL4668432

SCHEMBL4668432

COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC3=NC(=O)/C(=C/c4cc(Br)cc(OC)c4O)S3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.51
ERBB2 P04626 9/20 0.51
PRMT5 O14744 1/20 0.46
PKM P14618 1/20 0.40
ERN1 O75460 1/20 0.40
IGF1R P08069 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL4668434 1.00 EGFR (0.51) EGFRERBB2PRMT5PKMERN1
SCHEMBL4135023 0.93 PRMT5 (0.47) EGFRERBB2PRMT5IGF1R
SCHEMBL4133629 0.91 PRMT5 (0.44) EGFRERBB2PRMT5PKMIGF1R
SCHEMBL4133627 0.91 PRMT5 (0.44) EGFRERBB2PRMT5PKMIGF1R
SCHEMBL4122888 0.85 EGFR (0.50) EGFRERBB2PRMT5LMNAHPGD
SCHEMBL4122891 0.85 EGFR (0.50) EGFRERBB2PRMT5LMNAHPGD
SCHEMBL4635258 0.80 EGFR (0.48) EGFRERBB2LMNAHPGDMEN1
SCHEMBL4635253 0.80 EGFR (0.48) EGFRERBB2LMNAHPGDMEN1
SCHEMBL4635255 0.80 EGFR (0.48) EGFRERBB2LMNAHPGDMEN1
SCHEMBL4132690 0.79 EGFR (0.54) EGFRERBB2PKMLMNAKDM4E

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 disclosed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO disclosed