SCHEMBL29955049

SCHEMBL29955049

O=Cc1ccc(O)c(F)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.48
TRIM24 O15164 2/20 0.40
TRIM33 Q9UPN9 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
IDO1 P14902 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TYR P14679 2/20 0.36

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
SCHEMBL29954266 0.83 ERN1 (0.48) ERN1TRIM24TRIM33TDP1KDM4E
SCHEMBL1807912 0.82 TDP1 (0.43) ERN1TRIM24TRIM33TDP1MEN1
SCHEMBL219677 0.80 ERN1 (0.54) ERN1TRIM24TRIM33TDP1KDM4E
SCHEMBL31300223 0.80 ERN1 (0.54) ERN1TRIM24TRIM33TDP1KDM4E
SCHEMBL219001 0.80 TRIM24 (0.44) ERN1TRIM24TRIM33KDM4EMEN1
SCHEMBL31114189 0.78 ERN1 (0.52) ERN1TRIM24TRIM33KDM4EMEN1
SCHEMBL1982095 0.78 ERN1 (0.52) ERN1TRIM24TRIM33TDP1KDM4E
SCHEMBL20088344 0.78 TDP1 (0.45) ERN1TDP1MEN1KMT2AL3MBTL1
SCHEMBL12814036 0.78 ERN1 (0.52) ERN1TRIM24TRIM33KDM4EMEN1
SCHEMBL15514624 0.78 TDP1 (0.45) ERN1TDP1MEN1KMT2A

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