SCHEMBL29954529

SCHEMBL29954529

COc1cc(C=O)cnc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
ALDH1A1 P00352 12/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.44
TRIM24 O15164 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL29950972 0.83 FDPS (0.51) FDPSALDH1A1TSHRGAAHPGD
SCHEMBL2698927 0.83 FDPS (0.51) FDPSALDH1A1TSHRGAAHPGD
SCHEMBL23905089 0.80 ALDH1A1 (0.46) FDPSALDH1A1TSHRGAAHPGD
SCHEMBL29936033 0.79 FDPS (0.51) FDPSALDH1A1TSHRGAAHPGD
SCHEMBL25355441 0.79 FDPS (0.51) FDPSALDH1A1TSHRGAAHPGD
SCHEMBL10131337 0.78 FDPS (0.50) FDPSALDH1A1TSHRGAAHPGD
SCHEMBL13723899 0.78 FDPS (0.50) FDPSALDH1A1TSHRGAAHPGD
SCHEMBL22322334 0.78 ALDH1A1 (0.50) FDPSALDH1A1TSHRGAAHPGD
SCHEMBL16564249 0.78 ALDH1A1 (0.53) FDPSALDH1A1TSHRHPGDTRIM24
SCHEMBL29954141 0.78 ALDH1A1 (0.50) FDPSALDH1A1TSHRGAAHPGD

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