SCHEMBL4973256

SCHEMBL4973256

COc1cccc(B(O)O)c1F.OB(O)c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
TTR P02766 2/20 0.40
ACHE P22303 2/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 2/20 0.36
ERN1 O75460 1/20 0.36
GAA P10253 1/20 0.36
BCHE P06276 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
SCHEMBL4973263 0.85 ENPP2 (0.36) ENPP2ORAI1ORAI2ORAI3TTR
SCHEMBL29427098 0.83 ENPP2 (0.63) ENPP2ORAI1ORAI2ORAI3MAPT
SCHEMBL126401 0.83 ENPP2 (0.63) ENPP2ORAI1ORAI2ORAI3MAPT
SCHEMBL29375771 0.76 TSHR (0.48) ENPP2TTRMAPTKMT2AMEN1
SCHEMBL41990 0.76 TSHR (0.48) ENPP2TTRMAPTKMT2AMEN1
SCHEMBL29644544 0.72 ENPP2 (0.52) ENPP2ORAI1ORAI2ORAI3TTR
SCHEMBL385535 0.72 ENPP2 (0.52) ENPP2ORAI1ORAI2ORAI3TTR
SCHEMBL29470875 0.70 ENPP2 (0.48) ENPP2ORAI1ORAI2ORAI3LMNA
SCHEMBL1445093 0.70 ENPP2 (0.48) ENPP2ORAI1ORAI2ORAI3LMNA
SCHEMBL22683580 0.70 ENPP2 (0.44) ENPP2ORAI1ORAI2ORAI3MAPT

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-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed