SCHEMBL4635271

SCHEMBL4635271

O=C1N=C(Nc2ccc([Na])cc2)SC1=Cc1cc2ccccc2cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 6/20 0.52
PTPN1 P18031 8/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TTR P02766 1/20 0.41
BLM P54132 1/20 0.41
PLA2G1B P04054 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ALOX5 P09917 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
TDP1 Q9NUW8 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
Acetic Acid SCHEMBL4125635 0.95 PTP4A3 (0.48) PTP4A3PTPN1MEN1KMT2AALDH1A1
Acetic Acid SCHEMBL4125639 0.95 PTP4A3 (0.48) PTP4A3PTPN1MEN1KMT2AALDH1A1
Propionic Acid SCHEMBL4133739 0.94 PTP4A3 (0.47) PTP4A3PTPN1MEN1KMT2AALDH1A1
Butyric Acid SCHEMBL4635070 0.92 PTP4A3 (0.45) PTP4A3PTPN1MEN1KMT2AALDH1A1
Acetic Acid SCHEMBL4129247 0.91 PTP4A3 (0.44) PTP4A3PTPN1MEN1KMT2AALDH1A1
Acetic Acid SCHEMBL4129246 0.91 PTP4A3 (0.44) PTP4A3PTPN1MEN1KMT2AALDH1A1
Acetic Acid SCHEMBL4132602 0.90 PTP4A3 (0.43) PTP4A3MEN1KMT2AALDH1A1KDM4E
Acetic Acid SCHEMBL4635122 0.90 TDP1 (0.44) PTP4A3PTPN1MEN1KMT2AALDH1A1
Acetic Acid SCHEMBL4132607 0.90 PTP4A3 (0.43) PTP4A3MEN1KMT2AALDH1A1KDM4E
Acetic Acid SCHEMBL4635119 0.90 TDP1 (0.44) PTP4A3PTPN1MEN1KMT2AALDH1A1

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