SCHEMBL20554157

SCHEMBL20554157

O=C(O)c1cc(F)c2nc(Cl)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C8 P10632 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TPMT P51580 1/20 0.37

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
SCHEMBL22395360 0.82 GAA (0.43) LMNAGAA
SCHEMBL20554184 0.82 SMN1; SMN2 (0.51) NR1H4LMNAGAA
SCHEMBL23196210 0.81 ALDH1A1 (0.51) LMNAGAA
SCHEMBL20031347 0.81 LMNA (0.39) NR1H4LMNAGAACYP3A4CYP2C8
SCHEMBL17851275 0.81 NPC1 (0.51) NR1H4LMNAGAATPMT
SCHEMBL22229983 0.78 NR1H4 (0.40) NR1H4TPMT
SCHEMBL22672582 0.77 LMNA (0.37) NR1H4LMNAGAA
SCHEMBL20554083 0.77 ALDH1A1 (0.51) NR1H4TPMT
SCHEMBL21264224 0.77 GAA (0.48) LMNAGAA
SCHEMBL20031235 0.77 RAB9A (0.41) NR1H4LMNAGAA

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-3401315-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF Guangzhou Henovcom Bioscience Co. Ltd. (CN) 2018-11-14 EP disclosed