SCHEMBL7988964

SCHEMBL7988964

Cn1c(-c2ccc(F)cc2Br)nnc1C(C)(C)Oc1c(F)cc(N)cc1F

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.35
MAPT P10636 1/20 0.30
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
SCHEMBL12671065 0.92 HSD11B1 (0.37) HSD11B1MAPTTHRB
SCHEMBL7983862 0.86 MAPT (0.36) MAPTTHRB
SCHEMBL12671172 0.86 HSD11B1 (0.33) HSD11B1
SCHEMBL7995022 0.86 HSD11B1 (0.45) HSD11B1
SCHEMBL7987994 0.83 HSD11B1 (0.34) HSD11B1MAPTTHRB
SCHEMBL7993122 0.83 HSD11B1 (0.36) HSD11B1
SCHEMBL7991887 0.83 HSD11B1 (0.37) HSD11B1MAPT
SCHEMBL12671096 0.82 HSD11B1 (0.40) HSD11B1
SCHEMBL12677397 0.81 HSD11B1 (0.36) HSD11B1
SCHEMBL7995019 0.80 HSD11B1 (0.39) 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