SCHEMBL30876298

SCHEMBL30876298

CNC(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.78
EPHX2 P34913 2/20 0.78
CA2 P00918 1/20 0.70
CA4 P22748 1/20 0.70
CA5A P35218 1/20 0.70
CA9 Q16790 1/20 0.70
ALDH1A1 P00352 3/20 0.69
MEN1 O00255 4/20 0.68
NPC1 O15118 4/20 0.68
KMT2A Q03164 4/20 0.68
LMNA P02545 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CHRM1 P11229 1/20 0.68
SLC6A2 P23975 1/20 0.68
PDE4A P27815 1/20 0.68
ADRA1A P35348 1/20 0.68
OPRM1 P35372 1/20 0.68
HTT P42858 1/20 0.68
PDE3A Q14432 1/20 0.68
NLRP3 Q96P20 1/20 0.68

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
SCHEMBL2893642 1.00 EPHX1 (0.78) EPHX1EPHX2CA2CA4CA5A
SCHEMBL2683478 0.88 EPHX1 (1.00) EPHX1EPHX2CA2CA4CA5A
SCHEMBL30640703 0.88 EPHX1 (1.00) EPHX1EPHX2CA2CA4CA5A
SCHEMBL19049142 0.85 ALDH1A1 (0.59) EPHX1EPHX2CA2CA4CA5A
SCHEMBL11357914 0.85 ALDH1A1 (0.59) EPHX1EPHX2CA2CA4CA5A
SCHEMBL11755742 0.85 SMN1; SMN2 (0.69) EPHX1EPHX2CA2ALDH1A1MEN1
SCHEMBL22343865 0.84 ALDH1A1 (0.58) EPHX1EPHX2CA2CA4CA5A
SCHEMBL12064759 0.84 SLC2A1 (0.73) CA2ALDH1A1MEN1NPC1KMT2A
SCHEMBL15798482 0.83 EPHX1 (0.69) EPHX1EPHX2CA2CA4CA5A
SCHEMBL6791055 0.82 CA2 (1.00) EPHX1EPHX2CA2CA4CA5A

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-117947009-A Diuron degrading enzyme and cloning, expression and application thereof 华中农业大学 2024-04-30 CN disclosed