SCHEMBL9846410

SCHEMBL9846410

CCc1cc(/C=C/c2nc3cccc(F)c3o2)c(OCc2ccccc2)nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
STAT3 P40763 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
HSP90AA1 P07900 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
GRM1 Q13255 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL9846413 1.00 L3MBTL1 (0.39) L3MBTL1ELANEPPARGPPARDPPARA
SCHEMBL9338293 0.85 L3MBTL1 (0.43) L3MBTL1STAT3HTTSMN1; SMN2MEN1
SCHEMBL9336639 0.85 L3MBTL1 (0.43) L3MBTL1STAT3HTTSMN1; SMN2MEN1
SCHEMBL9846315 0.77 L3MBTL1 (0.36) L3MBTL1ELANESTAT3HTTSMN1; SMN2
SCHEMBL9846313 0.77 L3MBTL1 (0.36) L3MBTL1ELANESTAT3HTTSMN1; SMN2
SCHEMBL9680900 0.76 HCAR2 (0.32) HCAR2DHODH
SCHEMBL9680902 0.76 HCAR2 (0.32) HCAR2DHODH
SCHEMBL9681319 0.74 DAGLA (0.34) HCAR2
SCHEMBL9681317 0.74 DAGLA (0.34) HCAR2
SCHEMBL9338308 0.74 L3MBTL1 (0.48) L3MBTL1STAT3HTTSMN1; SMN2KDM4E

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed