SCHEMBL30452785

SCHEMBL30452785

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 4/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 4/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
IDO1 P14902 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.36
MMP2 P08253 2/20 0.36
USP2 O75604 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
LCK P06239 1/20 0.35

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
SCHEMBL31405306 0.83 KMT2A (0.40) TDP1KMT2ATP53MEN1HPGD
SCHEMBL31405280 0.83 TDP1 (0.48) TDP1KMT2ATP53MEN1HPGD
SCHEMBL29196759 0.81 POLB (0.44) TDP1KMT2ATP53MEN1HPGD
SCHEMBL30453552 0.81 KMT2A (0.38) TDP1KMT2ATP53MEN1HPGD
SCHEMBL29196758 0.81 TDP1 (0.41) TDP1KMT2ATP53MEN1HPGD
SCHEMBL29196775 0.79 HTT (0.46) TDP1KMT2ATP53MEN1HPGD
SCHEMBL28424154 0.79 TOP2A (0.49) TDP1KMT2ATP53MEN1HPGD
SCHEMBL30454149 0.79 POLB (0.47) TDP1KMT2ATP53MEN1HPGD
SCHEMBL29196757 0.78 HDAC6 (0.46) TDP1KMT2ATP53MEN1HPGD
SCHEMBL29196769 0.78 POLB (0.43) TDP1KMT2ATP53MEN1HPGD

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