SCHEMBL9018543

SCHEMBL9018543

O=C(O)c1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 2/20 0.47
PTPN1 P18031 2/20 0.44
PTPRC P08575 1/20 0.44
PTPN2 P17706 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 5/20 0.41
MDM2 Q00987 5/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIA4 P48058 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPRF P10586 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 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
SCHEMBL2804294 0.76 GRM6 (0.47) GRM6PTPN1PTPRCPTPN2LMNA
SCHEMBL28191146 0.76 PTPRC (0.40) GRM6PTPN1PTPRCPTPN2ALDH1A1
Bicarbonate SCHEMBL8752125 0.76 MAPT (0.48) GRM6LMNAALDH1A1MEN1MAPT
SCHEMBL31276918 0.76 KMT2A (0.50) GRM6PTPN1PTPRCPTPN2LMNA
SCHEMBL69825 0.76 GRIA4 (0.50) PTPN1PTPRCPTPN2LMNAALDH1A1
SCHEMBL8937962 0.74 PTGS2 (0.52) GRM6PTPN1PTPRCPTPN2ALDH1A1
SCHEMBL3913943 0.73 PTPN1 (0.72) PTPN1PTPRCPTPN2
SCHEMBL2846662 0.73 LMNA (0.52) PTPN1LMNAALDH1A1MEN1GAA
SCHEMBL3446771 0.73 LMNA (0.52) PTPN1LMNAALDH1A1MEN1GAA
SCHEMBL6611339 0.71 MEN1 (0.54) GRM6LMNAALDH1A1MEN1MAPT

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
US-5558904-A Electroluminescent devices containing a conjugated polymer obtained via halogen precursor route chemistry XEROX CORPORATION (US) 1996-09-24 US disclosed