SCHEMBL9283281

SCHEMBL9283281

O=C(O)COc1c(F)c(C(F)(F)F)nn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
NR3C1 P04150 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL8952084 0.85 HTT (0.46) HTTSMN1; SMN2PKMADAMTS5ALOX15
SCHEMBL8952116 0.78 NR3C1 (0.45) HTTSMN1; SMN2ADAMTS5POLBMAPT
SCHEMBL8952208 0.73 HPGD (0.47) SMN1; SMN2MAPTALDH1A1PTGDR2NR3C1
SCHEMBL9267572 0.73 PTGS2 (0.47) PTGS1PTGS2SMN1; SMN2POLBMAPT
SCHEMBL1765721 0.73 PDE4D (0.42) HTTTSHRALDH1A1NPSR1LMNA
SCHEMBL12361500 0.71 ALDH1A1 (0.56) HTTPTGS1SMN1; SMN2PKMPOLB
SCHEMBL8952130 0.70 ALDH1A1 (0.39) HTTADAMTS5POLBALDH1A1NR3C1
SCHEMBL14747809 0.69 PTGS2 (0.71) PTGS1PTGS2POLBCYP1A2CYP2C9
SCHEMBL16989247 0.69 HPGD (0.49) HTTPTGS1PTGS2SMN1; SMN2POLB
SCHEMBL31672711 0.68 KMT2A (0.38) PTGS1PTGS2SMN1; SMN2POLBMAPT

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
JP-7206825-A None JP disclosed
JP-H07206825-A PYRAZOLEGLYCOLIC ACID AMIDE DERIVATIVE NISSAN CHEM IND LTD 1995-08-08 JP disclosed