SCHEMBL6632299

SCHEMBL6632299

O=C(O)c1sccc1CCBr

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPRC P08575 3/20 0.40
GRIK1 P39086 1/20 0.40
AXL P30530 1/20 0.40
LMNA P02545 1/20 0.40
ABCC1 P33527 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.38
PTPRG P23470 3/20 0.38
GSK3B P49841 2/20 0.38
GPR35 Q9HC97 1/20 0.37
LTB4R Q15722 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
SCHEMBL12077076 0.84 PTPN2 (0.43) PTPN2PTPN1PTPRCGRIK1AXL
SCHEMBL4196235 0.82 PTPN1 (0.42) PTPN2PTPN1PTPRCGRIK1AXL
SCHEMBL2232945 0.81 HMGB1 (0.43) PTPN2PTPN1PTPRCGRIK1AXL
SCHEMBL10889896 0.81 LMNA (0.47) PTPN2PTPN1PTPRCAXLLMNA
SCHEMBL5323308 0.79 LTB4R (0.41) PTPN2PTPN1PTPRCGRIK1AXL
SCHEMBL27485588 0.79 KMT2A (0.51) LMNANPSR1KMT2A
SCHEMBL27675976 0.78 GPR35 (0.49) AXLLMNAABCC1GPR35LTB4R
SCHEMBL28345653 0.78 TSHR (0.41) PTPN2PTPN1PTPRCGRIK1AXL
SCHEMBL2065269 0.78 ABCC1 (0.50) PTPN2PTPN1PTPRCAXLLMNA
SCHEMBL1401564 0.78 GPR35 (0.44) PTPN2PTPN1PTPRCGRIK1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245600-A Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL MYERS SQUIBB CO 2011-11-16 CN disclosed
CN-100430390-C Water-soluble triazole antifungal agents SANKYO CO (JP) 2008-11-05 CN disclosed
CN-1503795-A Water-soluble triazole antifungal agents ������������ʽ���� 2004-06-09 CN disclosed
EP-0683781-B1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE METABASIS THERAPEUTICS INC (US) 2004-04-21 EP disclosed
US-5731432-A Inhibitors of adenosine monophosphate deaminase GENSIA SICOR INC. (US) 1998-03-24 US disclosed
EP-0683781-A4 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE. GENSIA PHARMA (US) 1997-05-28 EP disclosed
EP-0683781-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA PHARMACEUTICALS, INC. (US) 1995-11-29 EP disclosed
WO-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 WO disclosed