SCHEMBL12778658

SCHEMBL12778658

Cc1oncc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
THRB P10828 1/20 0.39
PIM1 P11309 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
AGTR1 P30556 1/20 0.39
CCKBR P32239 1/20 0.39
MC4R P32245 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL10236383 0.78 ALDH1A1 (0.31) DHODHNPC1GMNNLMNATP53
SCHEMBL20364196 0.74 ALDH1A1 (0.33) DHODHNPC1GMNNLMNATP53
SCHEMBL22140416 0.74
SCHEMBL19185412 0.74
SCHEMBL25101324 0.68
SCHEMBL12777837 0.67
SCHEMBL254094 0.66
SCHEMBL6596929 0.63 CSF1R (0.36) DHODHNPC1GMNNLMNATP53
SCHEMBL22140237 0.62
SCHEMBL16127380 0.62 CYP11B2 (0.37) CYP3A4CYP2C19HSD17B10HPGDHSD11B1

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-2011050160-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2011-04-28 WO disclosed