SCHEMBL30452706

SCHEMBL30452706

C=CCC(Cc1ccccc1)C(=O)Nc1ccc(I)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 1/20 0.34
HDAC1 Q13547 2/20 0.34
SLC40A1 Q9NP59 1/20 0.34
GLO1 Q04760 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL29197443 1.00 RPS6KB1 (0.40) RPS6KB1KMT2ATP53KDM4EMAPT
SCHEMBL31405301 0.85 RPS6KB1 (0.42) RPS6KB1KMT2ATP53KDM4EMAPT
SCHEMBL29197444 0.83 PDE4D (0.36) RPS6KB1KMT2ATP53KDM4EMAPT
SCHEMBL31405311 0.82 KMT2A (0.38) RPS6KB1KMT2ATP53KDM4EMAPT
SCHEMBL30454138 0.82 KMT2A (0.38) KMT2ATP53KDM4EMAPTSMN1; SMN2
SCHEMBL31411238 0.80 RPS6KB1 (0.40) RPS6KB1KMT2ATP53KDM4EMAPT
SCHEMBL29196780 0.78 KDR (0.37) RPS6KB1KMT2ATP53KDM4EMAPT
SCHEMBL29196755 0.77 FFAR2 (0.41) KMT2ATP53KDM4EMAPTSMN1; SMN2
SCHEMBL31405302 0.77 KMT2A (0.37) RPS6KB1KMT2ATP53KDM4EMAPT
SCHEMBL31405300 0.76 KMT2A (0.40) KMT2ATP53KDM4EMAPTSMN1; SMN2

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