SCHEMBL22018100

SCHEMBL22018100

C#CC(C)NC(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
GRM5 P41594 1/20 0.32
LMNA P02545 2/20 0.31
DHFR P00374 2/20 0.30
FOLR1 P15328 1/20 0.30
SLC19A1 P41440 1/20 0.30
SLC46A1 Q96NT5 1/20 0.30
CA2 P00918 2/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL22336364 0.84 CA2 (0.40) KDM4EHPGDCA2CA1
SCHEMBL22018301 0.83 HDAC4 (0.39) HPGDLMNA
Hydrochloric Acid SCHEMBL22322614 0.83 CA2 (0.39) KDM4EHPGDLMNACA2CA1
SCHEMBL22322613 0.82 LMNA (0.35) KDM4EHPGDGRM5LMNACA2
SCHEMBL22018667 0.81 CA1 (0.41) KDM4ECA2CA1
SCHEMBL22322562 0.81 NPC1 (0.38) LMNACA2CA1
SCHEMBL22018322 0.81 ACR (0.38) HPGD
SCHEMBL22018320 0.80 HPGD (0.46) KDM4EHPGDLMNA
SCHEMBL22018297 0.79 BAZ2B (0.39) KDM4EHPGDGRM5CA2
SCHEMBL22018308 0.79 LMNA (0.34) KDM4EHPGDLMNACA2CA1

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
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed