SCHEMBL21782323

SCHEMBL21782323

Cn1cccc1/C=C\CF

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 8/20 0.39
MAPT P10636 8/20 0.39
MEN1 O00255 6/20 0.39
TDP1 Q9NUW8 4/20 0.39
USP2 O75604 3/20 0.39
GAA P10253 3/20 0.39
TLR9 Q9NR96 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL22182585 0.82 TRIM24 (0.52) TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A
SCHEMBL256045 0.82 TRIM24 (0.52) TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A
SCHEMBL15871031 0.80 TRIM24 (0.65) TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A
SCHEMBL10742280 0.80 TRIM24 (0.50) TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A
SCHEMBL10742284 0.80 TRIM24 (0.50) TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A
SCHEMBL18270126 0.77 TRIM24 (0.47) TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A
SCHEMBL27616251 0.77
SCHEMBL16770286 0.76 TRIM24 (0.60) TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A
SCHEMBL16770285 0.76 TRIM24 (0.60) TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A
SCHEMBL10178210 0.74

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-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed