SCHEMBL7987994

SCHEMBL7987994

Cn1c(-c2ccc(F)cc2Br)nnc1C(C)(C)Oc1ccc(N)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 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
SCHEMBL7980060 0.91 HSD11B1 (0.45) HSD11B1
SCHEMBL7991887 0.86 HSD11B1 (0.37) HSD11B1MAPT
SCHEMBL7984098 0.85 HSD11B1 (0.42) HSD11B1
SCHEMBL12671162 0.85 MAPT (0.37) MAPTTHRB
SCHEMBL12671159 0.84 HSD11B1 (0.33) HSD11B1MAPT
SCHEMBL7988964 0.83 HSD11B1 (0.35) HSD11B1MAPTTHRB
SCHEMBL12677300 0.82 MAPK14 (0.36) HSD11B1
SCHEMBL7995253 0.82 HSD11B1 (0.42) HSD11B1
SCHEMBL7988223 0.81 HSD11B1 (0.54) HSD11B1
SCHEMBL12677376 0.80 HSD11B1 (0.50) HSD11B1

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-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed