SCHEMBL30779709

SCHEMBL30779709

O=C(O)c1nccnc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ASPH Q12797 3/20 0.44
KDM8 Q8N371 2/20 0.44
GLA P06280 1/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 4/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NAPRT Q6XQN6 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
SCHEMBL630383 1.00 KDM4E (0.44) KDM4EASPHKDM8GLAHTT
Hydrochloric Acid SCHEMBL629621 0.98 KDM4E (0.42) KDM4EASPHKDM8GLAHTT
SCHEMBL4570471 0.84 HTT (0.38) KDM4EASPHKDM8GLAHTT
SCHEMBL212115 0.83 ADORA3 (0.41) KDM4EASPHKDM8GLAHTT
SCHEMBL30801476 0.83 HTT (0.37) KDM4EASPHKDM8GLAHTT
SCHEMBL4570470 0.83 GLA (0.38) KDM4EASPHKDM8GLAHTT
SCHEMBL29936207 0.83 ADORA3 (0.41) KDM4EASPHKDM8GLAHTT
SCHEMBL629620 0.83 HTT (0.37) KDM4EASPHKDM8GLAHTT
SCHEMBL4004350 0.80 KDM4E (0.41) KDM4EASPHKDM8GLAMAPT
SCHEMBL23221405 0.78 TLR7 (0.39) KDM4EASPHKDM8GLAHTT

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-117800956-A Benzo heterocyclic hydrazide hydrazone compound, preparation method and bactericide application 华东理工大学 2024-04-02 CN disclosed