SCHEMBL20099882

SCHEMBL20099882

CO[C@H](CF)CCn1cccn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
FDPS P14324 1/20 0.33
THRB P10828 2/20 0.32
DAO P14920 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL1075475 0.79 FDPS (0.37) LMNAFDPSTHRBDAOTSHR
SCHEMBL19222041 0.77 LMNA (0.36) LMNAFDPSTHRBDAOTSHR
SCHEMBL20099962 0.74 TSHR (0.41) LMNAFDPSTHRBDAOTSHR
SCHEMBL278529 0.72 L3MBTL1 (0.48) LMNAFDPSTHRBDAOTSHR
SCHEMBL21996528 0.71 TSHR (0.44) LMNAFDPSTHRBDAOTSHR
SCHEMBL31581978 0.71 TSHR (0.44) LMNAFDPSTHRBDAOTSHR
SCHEMBL20099857 0.70 TSHR (0.38) LMNAFDPSTHRBDAOTSHR
SCHEMBL12181347 0.69
SCHEMBL10192257 0.69 FDPS (0.38) LMNAFDPSTHRBDAOTSHR
SCHEMBL3320765 0.69

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
EP-3315492-A1 PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2018-05-02 EP disclosed