SCHEMBL6679190

SCHEMBL6679190

O=C(O)O[C@@H]1Cc2cc(Cl)ccc2N[C@@H]1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.37
AHR P35869 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CDC25B P30305 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
KDM1A O60341 1/20 0.31
RORC P51449 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL6406397 0.81 PNMT (0.40) PNMTAHRCDC25BPTGS1PTGS2
SCHEMBL6405280 0.81 PNMT (0.40) PNMTAHRCDC25BPTGS1PTGS2
SCHEMBL7318714 0.77 AHR (0.38) AHRCDC25BSRD5A1SRD5A2PRKAB2
Hydrochloric Acid SCHEMBL7323833 0.76 AHR (0.37) AHRCDC25BSRD5A1SRD5A2PRKAB2
SCHEMBL6683777 0.72 PTGS2 (0.41) PNMTPTGS1PTGS2
SCHEMBL27500704 0.70 BCL2L1 (0.36) SMN1; SMN2HDAC8
SCHEMBL6246219 0.69 GAA (0.60) AHRCDC25B
SCHEMBL6164822 0.69 GAA (0.60) AHRCDC25B
SCHEMBL3256484 0.69 GAA (0.60) AHRCDC25B
Water SCHEMBL28741688 0.68 GAA (0.58) AHRCDC25B

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-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 EP claimed