SCHEMBL9114529

SCHEMBL9114529

O=C(c1ccc(F)cc1F)c1cnoc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
DHODH Q02127 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK14 Q16539 3/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
HTR1F P30939 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM5 P41594 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 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
SCHEMBL9115014 0.89 DHODH (0.44) CES2CES1DHODHMEN1KMT2A
SCHEMBL9113188 0.86 DHODH (0.40) DHODHKMT2AHPGDLMNAHTT
SCHEMBL8489371 0.86 HPGD (0.50) DHODHMEN1KMT2AHTR1FHPGD
SCHEMBL9116214 0.85 DHODH (0.44) DHODHKMT2AP2RX7
SCHEMBL27513121 0.83 DHODH (0.46) DHODHLMNAMAPT
SCHEMBL8488384 0.82 MAPT (0.38) DHODHALDH1A1MAPTNPY2R
SCHEMBL8491452 0.82 DHODH (0.37) DHODHHPGD
SCHEMBL8492055 0.82 NR1I2 (0.39) DHODH
SCHEMBL9114961 0.81 DHODH (0.37) DHODHMEN1KMT2AHPGDALDH1A1
SCHEMBL7573992 0.80 DHODH (0.36) DHODHHPGDALDH1A1P2RX7

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
WO-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed