SCHEMBL6202999

SCHEMBL6202999

Cc1ccc(S(=O)(=O)Nc2ccc(-c3n[nH]cc3-c3nc4cc(C(C)(C)C)ccc4o3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 17/20 0.60
PTPN1 P18031 17/20 0.60
PTPN5 P54829 17/20 0.60
MAPT P10636 4/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
ALOX12 P18054 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
XBP1 P17861 1/20 0.58
HSPD1 P10809 8/20 0.52
HSPE1 P61604 8/20 0.52
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL6084255 0.93 PTPN2 (0.58) PTPN2PTPN1PTPN5MAPTKDM4E
SCHEMBL6086151 0.88 PTPN2 (0.63) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL6084787 0.87 PTPN1 (0.44) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL6201863 0.86 PTPN1 (0.74) PTPN2PTPN1PTPN5MAPTKDM4E
SCHEMBL6085852 0.86 PTPN5 (0.49) PTPN2PTPN1PTPN5MAPTMEN1
SCHEMBL6086154 0.82 PTPN5 (0.60) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL6200297 0.81 PTPN1 (0.63) PTPN2PTPN1PTPN5MAPTKDM4E
SCHEMBL6084264 0.81 PTPN2 (0.66) PTPN2PTPN1PTPN5MAPTKDM4E
SCHEMBL6086097 0.80 NPC1 (0.52) MAPTKDM4EALDH1A1MEN1HPGD
SCHEMBL6086007 0.79 AGPAT2 (0.48) MAPTKDM4EALDH1A1TP53

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
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed