SCHEMBL20070180

SCHEMBL20070180

FC(F)(F)c1ccc(OC2CCN(S)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 12/20 0.57
LIPG Q9Y5X9 1/20 0.53
EPHX2 P34913 2/20 0.47
HSD11B1 P28845 3/20 0.46
SCN3A Q9NY46 1/20 0.40

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
SCHEMBL20147461 0.83 LIPE (0.57) LIPELIPGEPHX2HSD11B1
SCHEMBL18855867 0.83 LIPE (0.53) LIPELIPGEPHX2HSD11B1
SCHEMBL20070188 0.82 LIPE (0.56) LIPELIPGEPHX2HSD11B1
SCHEMBL29202405 0.82 LIPE (0.56) LIPELIPGEPHX2HSD11B1
SCHEMBL16839482 0.82 LIPE (0.52) LIPELIPGEPHX2HSD11B1
SCHEMBL30755072 0.82 LIPE (0.52) LIPELIPGEPHX2HSD11B1
SCHEMBL5674167 0.81 LIPE (0.62) LIPELIPGEPHX2HSD11B1
SCHEMBL20145199 0.81 LIPE (0.55) LIPELIPGEPHX2HSD11B1
SCHEMBL28377177 0.80 LIPE (0.60) LIPELIPGEPHX2HSD11B1SCN3A
SCHEMBL7961541 0.80 LIPG (0.53) LIPELIPGEPHX2HSD11B1

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed