SCHEMBL252287

SCHEMBL252287

O=C(NCc1ccc(-c2ccccc2C(F)(F)F)cc1)c1cnc2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAMBP O95630 4/20 0.51
PSMD14 O00487 4/20 0.51
COPS5 Q92905 3/20 0.46
SUCNR1 Q9BXA5 6/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
WDR5 P61964 1/20 0.44
NAMPT P43490 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NTRK1 P04629 1/20 0.44
LMNA P02545 1/20 0.43
SCN9A Q15858 1/20 0.42

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
SCHEMBL617276 0.83 HTT (0.50) SUCNR1ALDH1A1MAPTHPGDHTT
SCHEMBL252709 0.79 STAMBP (0.55) STAMBPPSMD14COPS5NAMPT
SCHEMBL253706 0.79 MLYCD (0.58) STAMBPPSMD14COPS5HPGDNAMPT
SCHEMBL253871 0.76 HPGDS (0.60) STAMBPPSMD14COPS5DYRK1BNAMPT
SCHEMBL253234 0.76 PSMD14 (0.50) STAMBPPSMD14COPS5ALDH1A1MAPT
SCHEMBL248208 0.75 TRPV1 (0.47) STAMBPPSMD14CYP3A4CYP2C9CYP2C19
SCHEMBL617436 0.74 PDPK1 (0.44) SUCNR1ALDH1A1MAPTHPGDHTT
SCHEMBL253124 0.73 STAMBP (0.44) STAMBPPSMD14COPS5NAMPT
SCHEMBL5697540 0.71 PSMD14 (0.54) STAMBPPSMD14COPS5HPGDHTT
SCHEMBL255348 0.71 NAMPT (0.52) STAMBPPSMD14COPS5NAMPT

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-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP claimed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed