SCHEMBL6684475

SCHEMBL6684475

O=C1CN(c2cccc(Br)c2)S(=O)(=O)N1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.66
PTPN2 P17706 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX5 P09917 2/20 0.46
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1688153 0.81 PTPN1 (0.66) PTPN1MEN1KMT2AALOX5MGLL
SCHEMBL1731203 0.81 PTPN1 (0.66) PTPN1PTPN2MGLL
SCHEMBL643464 0.81 PTPN1 (0.66) PTPN1PTPN2MEN1KMT2AALDH1A1
SCHEMBL6683753 0.80 PTPN1 (0.69) PTPN1PTPN2MEN1KMT2AMGLL
SCHEMBL6690418 0.80 PTPN1 (0.73) PTPN1PTPN2MGLLALDH1A1ATM
SCHEMBL1732116 0.80 PTPN1 (1.00) PTPN1PTPN2MEN1KMT2AALOX5
SCHEMBL1731402 0.78 PTPN1 (0.96) PTPN1PTPN2MEN1KMT2AALOX5
SCHEMBL1732288 0.78 PTPN1 (0.65) PTPN1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15158748 0.78 PTPN1 (0.60) PTPN1PTPN2MEN1KMT2AALOX5
SCHEMBL3609861 0.78 PTPN1 (0.60) PTPN1PTPN2MEN1KMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004041799-A1 5- (SUBSTITUTED PHENYL) -THIADIAZOLIDINE-3-ONES AND THEIR USE AS PTP1B ASTRAZENECA AB (SE) 2004-05-21 WO disclosed