SCHEMBL27550565

SCHEMBL27550565

F[B-](F)(F)F.NC(=O)N=C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 6/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
ABHD16A O95870 1/20 0.33
PLA2G7 Q13093 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
DAGLB Q8NCG7 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL27549857 0.98 TSHR (0.33) TSHRCASP1ALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL27524373 0.89 TSHR (0.42) TSHRCASP1ALDH1A1KDM4EKMT2A
SCHEMBL2140892 0.78
SCHEMBL10031678 0.67 TSHR (0.43) TSHRCASP1ALDH1A1KDM4EKMT2A
Urea SCHEMBL3622370 0.66
SCHEMBL1803093 0.66
SCHEMBL18687106 0.65 MEN1 (0.38) TSHRCASP1ALDH1A1KDM4EKMT2A
Cyclohexanone Oxime SCHEMBL8558306 0.65 TSHR (0.70) TSHRCASP1ALDH1A1KDM4EKMT2A
SCHEMBL7035336 0.64 F2 (0.44) TSHRALDH1A1KDM4EKMT2AMAPT
SCHEMBL18998986 0.64

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
CN-1292687-A Nonoparticles, method for producing nanoparticles and use of the same AVENTIS RES & TECH GMBH & CO (DE) 2001-04-25 CN disclosed