SCHEMBL11903493

SCHEMBL11903493

OCc1nc2ccc(OC(F)(F)F)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 7/20 0.58
PDE10A Q9Y233 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
CBFB Q13951 3/20 0.52
TRPV1 Q8NER1 2/20 0.52
NPSR1 Q6W5P4 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50
RHEB Q15382 1/20 0.50
EGLN1 Q9GZT9 1/20 0.48
F10 P00742 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL11903491 0.88 RHEB (0.50) RUNX1PDE10ATDP1CBFBTRPV1
SCHEMBL10284557 0.85 PDE10A (0.58) RUNX1PDE10ACBFBTRPV1SCN10A
SCHEMBL11903504 0.83 PDE10A (0.62) RUNX1PDE10ACBFBTRPV1SCN10A
SCHEMBL11904659 0.82 PDE10A (0.55) RUNX1PDE10ACBFBTRPV1SCN10A
Hydrochloric Acid SCHEMBL11903456 0.81 GRIN1 (0.65) RUNX1PDE10ATDP1CBFBTRPV1
Hydrochloric Acid SCHEMBL11904760 0.81 PDE10A (0.54) RUNX1PDE10ACBFBTRPV1SCN10A
Hydrochloric Acid SCHEMBL11903596 0.81 GAA (0.61) RUNX1PDE10ATDP1CBFBTRPV1
SCHEMBL12635909 0.80 F10 (0.61) TDP1NPSR1EGLN1F10
SCHEMBL31284816 0.80 F10 (0.61) TDP1NPSR1EGLN1F10
SCHEMBL5807305 0.80 RUNX1 (0.56) RUNX1PDE10ACBFBTRPV1SCN10A

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
US-8293780-B1 Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making U.S. DEPARTMENT OF ENERGY (US) 2012-10-23 US disclosed
US-8242284-B1 Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 2012-08-14 US disclosed