SCHEMBL31181908

SCHEMBL31181908

O=C(CC(F)(F)F)Oc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.59
MAPK1 P28482 1/20 0.48
ALOX5 P09917 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PBRM1 Q86U86 1/20 0.44
KDM4E B2RXH2 2/20 0.43
APAF1 O14727 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MPO P05164 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL28231180 0.85 SLC22A6 (0.63) SLC22A6ALOX5MAPTSMN1; SMN2MEN1
SCHEMBL6835665 0.83 SLC22A6 (0.68) SLC22A6ALOX5MAPTSMN1; SMN2MEN1
SCHEMBL1714417 0.83 SLC22A6 (0.68) SLC22A6ALOX5MAPTSMN1; SMN2MEN1
SCHEMBL3446433 0.81 SLC22A6 (0.66) SLC22A6ALOX5MAPTSMN1; SMN2MEN1
SCHEMBL352798 0.80 SLC22A6 (0.69) SLC22A6ALOX5MAPTSMN1; SMN2MEN1
SCHEMBL28053978 0.80 SLC22A6 (0.64) SLC22A6ALOX5MAPTSMN1; SMN2MEN1
SCHEMBL6897127 0.80 SLC22A6 (0.64) SLC22A6ALOX5MAPTSMN1; SMN2MEN1
SCHEMBL3925907 0.80 SLC22A6 (0.64) SLC22A6MAPK1ALOX5LMNAALDH1A1
SCHEMBL16757647 0.80 SLC22A6 (0.64) SLC22A6ALOX5MAPTSMN1; SMN2MEN1
SCHEMBL4763400 0.80 SLC22A6 (0.52) SLC22A6ALOX5MAPTSMN1; SMN2MEN1

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
CN-118878450-A C3-trifluoropropionyl oxydation reaction of N-substituted indole 湖南科技职业学院 2024-11-01 CN disclosed