SCHEMBL29953689

SCHEMBL29953689

Cc1cc(F)c(F)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.52
SRC P12931 2/20 0.41
RAPGEF4 Q8WZA2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MPI P34949 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
NFE2L2 Q16236 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL12450080 1.00 ERN1 (0.52) ERN1SRCRAPGEF4NPSR1ALDH1A1
SCHEMBL14033478 0.82 ERN1 (0.52) ERN1SRCNPSR1ALDH1A1KDM4E
SCHEMBL10325195 0.82 ERN1 (0.52) ERN1SRCRAPGEF4NPSR1ALDH1A1
SCHEMBL4746714 0.79 ERN1 (0.39) ERN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29955919 0.79 ERN1 (0.39) ERN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8277341 0.78 ERN1 (0.48) ERN1SRCNPSR1ALDH1A1KDM4E
SCHEMBL14726039 0.78 ERN1 (0.59) ERN1SRC
SCHEMBL13855816 0.78 ERN1 (0.72) ERN1
SCHEMBL12135681 0.78 ERN1 (0.48) ERN1SRCRAPGEF4NPSR1ALDH1A1
SCHEMBL585592 0.76 ERN1 (0.61) ERN1ALDH1A1KDM4E

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