SCHEMBL30453552

SCHEMBL30453552

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
TOP2A P11388 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
ERBB2 P04626 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 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 0.85 KMT2A (0.40) KMT2ATP53MEN1HSD17B10HTT
SCHEMBL28424154 0.83 TOP2A (0.49) KMT2ATP53MEN1HSD17B10HTT
SCHEMBL30685731 0.81 POLB (0.54) KMT2ATP53MEN1HTTKDM4E
SCHEMBL30452785 0.81 TDP1 (0.41) KMT2ATP53MEN1HSD17B10HTT
SCHEMBL31405280 0.80 TDP1 (0.48) KMT2ATP53MEN1HSD17B10HTT
SCHEMBL29196759 0.78 POLB (0.44) KMT2ATP53MEN1HSD17B10HTT
SCHEMBL30454138 0.77 KMT2A (0.38) KMT2ATP53MEN1HSD17B10HTT
SCHEMBL28419837 0.76 ATM (0.54) KMT2ATP53MEN1HSD17B10HTT
SCHEMBL29196775 0.76 HTT (0.46) KMT2ATP53MEN1HTTKDM4E
SCHEMBL31405300 0.75 KMT2A (0.40) KMT2ATP53MEN1HSD17B10HTT

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