SCHEMBL29196759

SCHEMBL29196759

C=CCCC(=O)Nc1ccc(I)c2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
TP53 P04637 1/20 0.40
MMP2 P08253 2/20 0.39

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
SCHEMBL29196775 0.93 HTT (0.46) POLBTDP1HTTKMT2AMEN1
SCHEMBL29196757 0.92 HDAC6 (0.46) POLBTDP1HTTKMT2AMEN1
SCHEMBL29196782 0.91 HDAC6 (0.48) POLBTDP1HTTKMT2AMEN1
SCHEMBL29196766 0.91 HDAC6 (0.48) POLBTDP1HTTKMT2AMEN1
SCHEMBL31405280 0.88 TDP1 (0.48) POLBTDP1HTTKMT2AMEN1
SCHEMBL29196769 0.87 POLB (0.43) POLBTDP1HTTKMT2AMEN1
SCHEMBL29196761 0.87 POLB (0.43) POLBTDP1HTTKMT2AMEN1
SCHEMBL29196776 0.85 POLB (0.42) POLBTDP1HTTKMT2AMEN1
SCHEMBL30454149 0.83 POLB (0.47) POLBTDP1HTTKMT2AMEN1
SCHEMBL30452785 0.81 TDP1 (0.41) POLBTDP1HTTKMT2AMEN1

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
CN-116283765-A Chlorotrifluoromethylation method of inactive olefin 苏州大学 2023-06-23 CN disclosed