SCHEMBL22018299

SCHEMBL22018299

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
HPGDS O60760 1/20 0.36
GRM5 P41594 1/20 0.36
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
MLYCD O95822 1/20 0.35
XDH P47989 5/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NAMPT P43490 1/20 0.32
BRD4 O60885 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL22018300 0.82 LMNA (0.39) HPGDSALDH1A1LMNAHPGDKDM4E
SCHEMBL22018305 0.81 HPGD (0.34) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL22018049 0.81 FDPS (0.37) FDPSHPGDSGRM5ALOX15ALDH1A1
SCHEMBL22018048 0.80 GABRA5 (0.32) GABRA5
SCHEMBL22017862 0.74 PLK1 (0.35) HPGDSGRM5ALDH1A1TSHRHPGD
SCHEMBL22018656 0.74 KMT2A (0.42) ALDH1A1LMNAMLYCDHPGDKDM4E
SCHEMBL22018290 0.72 CA12 (0.41) HPGDSALDH1A1LMNAHPGDKDM4E
SCHEMBL22336364 0.72 CA2 (0.40) HPGDKDM4E
SCHEMBL22018051 0.72 KMT2A (0.44) TSHRHPGDKDM4E
SCHEMBL22018296 0.70 ALDH1A1 (0.30) ALDH1A1HPGD

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