SCHEMBL29951648

SCHEMBL29951648

Nc1c(C=O)cccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 3/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
MPL P40238 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SRC P12931 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35

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
SCHEMBL96815 0.81 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2ERN1
SCHEMBL28083133 0.80 MPL (0.45) ALDH1A1GAAMPLKDM4EHCAR1
SCHEMBL2715747 0.80 ALDH1A1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2ERN1
SCHEMBL16470387 0.80 SRC (0.41) ALDH1A1HPGDHTTSMN1; SMN2ERN1
SCHEMBL4628099 0.79 LMNA (0.48) ALDH1A1HPGDHTTSMN1; SMN2ERN1
SCHEMBL980265 0.79 ERN1 (0.61) ALDH1A1HPGDHTTSMN1; SMN2ERN1
SCHEMBL4115627 0.79 ALDH1A1 (0.40) ALDH1A1HPGDHTTSMN1; SMN2ERN1
SCHEMBL26812099 0.79 ERN1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2ERN1
SCHEMBL29732882 0.79 ERN1 (0.61) ALDH1A1HPGDHTTSMN1; SMN2ERN1
Formaldehyde SCHEMBL27526817 0.78 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2ERN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed